Vitas-M small molecule compound
7-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
Catalog ID
STK797071
SMILES O=C(Oc1cc2sc(=O)oc2c(c1)c1ccc(cc1)C)CCN1C(=S)S/C(=C\c2ccccc2)/C1=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 C27H19NO5S3 MW 533.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19NO5S3/c1-16-7-9-18(10-8-16)20-14-19(15-21-24(20)33-27(31)36-21)32-23(29)11-12-28-25(30)22(35-26(28)34)13-17-5-3-2-4-6-17/h2-10,13-15H,11-12H2,1H3/b22-13-InChIKey
WFSCREQLOSOOJV-XKZIYDEJSA-NSynonyms
(7(4METHYLPHENYL)2OXO13BENZOXATHIOL5YL)3((5Z)5BENZYLIDENE4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOATE
7(4methylphenyl)2oxo13benzoxathiol5yl3((5Z)5benzylidene4oxo2thioxo13thiazolidin3yl)propanoate
CC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)CCN4C(=O)C(=CC5=CC=CC=C5)SC4=S
InChI=1SC27H19NO5S3c1167918(10816)201419(152124(20)3327(31)3621)3223(29)11122825(30)22(3526(28)34)13175324617h2101315H1112H21H3b2213
MFCD03225840
O=C(Oc1cc2sc(=O)oc2c(c1)c1ccc(cc1)C)CCN1C(=S)SC(=Cc2ccccc2)C1=O
ZINC000002678169
ZINC2678169
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