Vitas-M small molecule compound
2-methoxy-4-{(E)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-chlorobenzoate
Catalog ID
STL428380
SMILES C=CCN1C(=S)S/C(=C/c2ccc(c(c2)OC)OC(=O)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 C21H16ClNO4S2 MW 445.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClNO4S2/c1-3-10-23-19(24)18(29-21(23)28)12-13-4-9-16(17(11-13)26-2)27-20(25)14-5-7-15(22)8-6-14/h3-9,11-12H,1,10H2,2H3/b18-12+InChIKey
JFOUQCMRMRMUPA-LDADJPATSA-NSynonyms
(2METHOXY4((E)(4OXO3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)4CHLOROBENZOATE
2methoxy4((E)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)phenyl4chlorobenzoate
C=CCN1C(=S)SC(=Cc2ccc(c(c2)OC)OC(=O)c2ccc(cc2)Cl)C1=O
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)OC(=O)C3=CC=C(C=C3)Cl
InChI=1SC21H16ClNO4S2c13102319(24)18(2921(23)28)12134916(17(1113)262)2720(25)145715(22)8614h391112H110H22H3b1812+
MFCD01536030
ZINC000001197266
ZINC01197266
ZINC1197266
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