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]-N-(2-{[(4-hydroxyquinazolin-2-yl)methyl]sulfanyl}ethyl)-3-[4-(methylsulfanyl)phenyl]propanamide
Catalog ID
STL552216
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCSCc1nc(O)c2c(n1)cccc2
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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 C37H36ClN3O8S2 MW 750.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H36ClN3O8S2/c1-19-15-25(42)30(34(44)37(19)35(45)31-26(47-2)17-27(48-3)32(38)33(31)49-37)23(20-9-11-21(50-4)12-10-20)16-29(43)39-13-14-51-18-28-40-24-8-6-5-7-22(24)36(46)41-28/h5-12,17,19,23,44H,13-16,18H2,1-4H3,(H,39,43)(H,40,41,46)/t19-,23?,3InChIKey
VTJOFHVBINENFA-AAXSOBINSA-NSynonyms
135640489
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)~(N)(2((4oxo3~(H)quinazolin2yl)methylsulfanyl)ethyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N(2(((4HYDROXYQUINAZOLIN2YL)METHYL)SULFANYL)ETHYL)3(4(METHYLSULFANYL)PHENYL)
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(((4hydroxyquinazolin2yl)methyl)sulfanyl)ethyl)3(4(methylsulfanyl)phenyl)propanamide
InChI=1SC37H36ClN3O8S2c1191525(42)30(34(44)37(19)35(45)3126(472)1727(483)32(38)33(31)4937)23(2091121(504)121020)1629(43)3913145118284024865722(24)36(46)4128h51217192344H131618H214H3(H3943)(H404146)t1923?37+m1s1
ZINC001547138887
ZINC001547138890
Check stock
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Check stock on Vitas-MAvailable files
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