Vitas-M small molecule compound
7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3-[(5Z)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
Catalog ID
STK823325
SMILES COc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCC(=O)Oc1cc2sc(=O)oc2c(c1)c1ccc(cc1)OC
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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 C28H21NO7S3 MW 579.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21NO7S3/c1-33-18-7-3-16(4-8-18)13-23-26(31)29(27(37)38-23)12-11-24(30)35-20-14-21(17-5-9-19(34-2)10-6-17)25-22(15-20)39-28(32)36-25/h3-10,13-15H,11-12H2,1-2H3/b23-13-InChIKey
IPXLCCZRVWGPQL-QRVIBDJDSA-NSynonyms
(7(4methoxyphenyl)2oxo13benzoxathiol5yl)3((5Z)5((4methoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)propanoate
7(4methoxyphenyl)2oxo13benzoxathiol5yl3((5Z)5(4methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)propanoate
COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)OC3=CC4=C(C(=C3)C5=CC=C(C=C5)OC)OC(=O)S4
COc1ccc(cc1)C=C1SC(=S)N(C1=O)CCC(=O)Oc1cc2sc(=O)oc2c(c1)c1ccc(cc1)OC
InChI=1SC28H21NO7S3c133187316(4818)132326(31)29(27(37)3823)121124(30)35201421(175919(342)10617)2522(1520)3928(32)3625h3101315H1112H212H3b2313
MFCD03463850
ZINC000097947157
ZINC97947157
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