Vitas-M small molecule compound
(2S,6'R)-7-chloro-2'-hydroxy-3'-{1-(4-hydroxy-3-methoxyphenyl)-3-[2-(3-methoxyphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]-3-oxopropyl}-4,6-dimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione
Catalog ID
STL552257
SMILES COc1cccc(c1)c1nc2c(s1)CN(CC2)C(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(c(c1)OC)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C39H37ClN2O10S MW 761.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H37ClN2O10S/c1-19-13-26(44)32(36(46)39(19)37(47)33-28(50-4)17-29(51-5)34(40)35(33)52-39)23(20-9-10-25(43)27(15-20)49-3)16-31(45)42-12-11-24-30(18-42)53-38(41-24)21-7-6-8-22(14-21)48-2/h6-10,14-15,17,19,23,43,46H,11-13,16,18H2,1-5H3/t19-,23?,39InChIKey
WFCCNCZFBIIFHB-HDQDKQGTSA-NSynonyms
(1S6R)7chloro2hydroxy3(1(4hydroxy3methoxyphenyl)3(2(3methoxyphenyl)67dihydrothiazolo(54c)pyridin5(4H)yl)3oxopropyl)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(2)ene)34dione
(2~(S)5~(R))7chloro3hydroxy2(1(4hydroxy3methoxyphenyl)3(2(3methoxyphenyl)67dihydro4~(H)(13)thiazolo(54c)pyridin5yl)3oxopropyl)46dimethoxy5methylspiro(1benzofuran24cyclohex2ene)13dione
(2S6R)7CHLORO2HYDROXY3(1(4HYDROXY3METHOXYPHENYL)3(2(3METHOXYPHENYL)67DIHYDRO(13)THIAZOLO(54C)PYRIDIN5(4H)YL)3OXOPROPYL)46DIMETHOXY6METHYL3H4HSPIRO(1BENZOFURAN2
(2S6R)7chloro2hydroxy3(1(4hydroxy3methoxyphenyl)3(2(3methoxyphenyl)67dihydro(13)thiazolo(54c)pyridin5(4H)yl)3oxopropyl)46dimethoxy6methyl3H4Hspiro(1benzofuran21cyclohex(2)ene)34dione
135640524
1CYCLOHEX(2)ENE)34DIONE
COc1cccc(c1)c1nc2c(s1)CN(CC2)C(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(c(c1)OC)O
InChI=1SC39H37ClN2O10Sc1191326(44)32(36(46)39(19)37(47)3328(504)1729(515)34(40)35(33)5239)23(2091025(43)27(1520)493)1631(45)4212112430(1842)5338(4124)2176822(1421)482h61014151719234346H11131618H215H3t1923?39+m1s1
ZINC001547208812
ZINC001547208813
Check stock
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