Vitas-M small molecule compound
3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(5-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)ethyl]propanamide
Catalog ID
STL552346
SMILES COc1ccc2c(c1)C(CCNC(=O)CC(C1=C(O)[C@]3([C@@H](CC1=O)C)Oc1c(C3=O)c(OC)cc(c1Cl)OC)c1ccc(c(c1)OC)O)C(=O)N2
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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 C37H37ClN2O11 MW 721.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H37ClN2O11/c1-17-12-25(42)30(34(44)37(17)35(45)31-27(49-4)16-28(50-5)32(38)33(31)51-37)21(18-6-9-24(41)26(13-18)48-3)15-29(43)39-11-10-20-22-14-19(47-2)7-8-23(22)40-36(20)46/h6-9,13-14,16-17,20-21,41,44H,10-12,15H2,1-5H3,(H,39,43)(H,40,46)/t17InChIKey
NBOQESPYXLVXRR-RUZJMZNFSA-NSynonyms
132352201
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(2(5methoxy2oxoindolin3yl)ethyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)~(N)(2(5methoxy2oxo13dihydroindol3yl)ethyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4HYDROXY3METHOXYPHENYL)N(2(5METHOXY2OXO23DIHYDRO1HINDOL3YL)ETHYL)
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(2(5methoxy2oxo23dihydro1Hindol3yl)ethyl)propanamide
COc1ccc2c(c1)C(CCNC(=O)CC(C1=C(O)(C@)3((C@@H)(CC1=O)C)Oc1c(C3=O)c(OC)cc(c1Cl)OC)c1ccc(c(c1)OC)O)C(=O)N2
InChI=1SC37H37ClN2O11c1171225(42)30(34(44)37(17)35(45)3127(494)1628(505)32(38)33(31)5137)21(186924(41)26(1318)483)1529(43)39111020221419(472)7823(22)4036(20)46h691314161720214144H101215H215H3(H3943)(H4046)t1720?21?37+m1s1
ZINC000824751045
ZINC000824751054
Check stock
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