Vitas-M small molecule compound
7-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
Catalog ID
STK823282
SMILES O=C(Oc1cc2sc(=O)oc2c(c1)c1ccc(cc1)C)CCN1C(=S)S/C(=C\c2ccc(cc2)Cl)/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 C27H18ClNO5S3 MW 568.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClNO5S3/c1-15-2-6-17(7-3-15)20-13-19(14-21-24(20)34-27(32)37-21)33-23(30)10-11-29-25(31)22(36-26(29)35)12-16-4-8-18(28)9-5-16/h2-9,12-14H,10-11H2,1H3/b22-12-InChIKey
ORCKQUJDDUDFTK-UUYOSTAYSA-NSynonyms
(7(4methylphenyl)2oxo13benzoxathiol5yl)3((5Z)5((4chlorophenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)propanoate
7(4methylphenyl)2oxo13benzoxathiol5yl3((5Z)5(4chlorobenzylidene)4oxo2thioxo13thiazolidin3yl)propanoate
CC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)CCN4C(=O)C(=CC5=CC=C(C=C5)Cl)SC4=S
InChI=1SC27H18ClNO5S3c1152617(7315)201319(142124(20)3427(32)3721)3323(30)10112925(31)22(3626(29)35)12164818(28)9516h291214H1011H21H3b2212
MFCD03463816
O=C(Oc1cc2sc(=O)oc2c(c1)c1ccc(cc1)C)CCN1C(=S)SC(=Cc2ccc(cc2)Cl)C1=O
ZINC000097947152
ZINC97947152
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