Vitas-M small molecule compound
methyl 4-(2,5-dimethyl-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1H-pyrrol-1-yl)-3-methylbenzoate
Catalog ID
STK159739
SMILES C=CCN1C(=S)S/C(=C\c2cc(n(c2C)c2ccc(cc2C)C(=O)OC)C)/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 C22H22N2O3S2 MW 426.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O3S2/c1-6-9-23-20(25)19(29-22(23)28)12-17-11-14(3)24(15(17)4)18-8-7-16(10-13(18)2)21(26)27-5/h6-8,10-12H,1,9H2,2-5H3/b19-12-InChIKey
YIMJRXDMRLIOLF-UNOMPAQXSA-NSynonyms
C=CCN1C(=S)SC(=Cc2cc(n(c2C)c2ccc(cc2C)C(=O)OC)C)C1=O
CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)OC)C)C)C=C3C(=O)N(C(=S)S3)CC=C
InChI=1SC22H22N2O3S2c1692320(25)19(2922(23)28)12171114(3)24(15(17)4)188716(1013(18)2)21(26)275h681012H19H225H3b1912
METHYL4(25DIMETHYL3((Z)(4OXO3(PROP2EN1YL)2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)1HPYRROL1YL)3METHYLBENZOATE
METHYL4(25DIMETHYL3((Z)(4OXO3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PYRROL1YL)3METHYLBENZOATE
MFCD02623873
ZINC000001186770
ZINC01186770
ZINC1186770
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