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)benzoate
Catalog ID
STK159661
SMILES C=CCN1C(=S)S/C(=C\c2cc(n(c2C)c2ccc(cc2)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 C21H20N2O3S2 MW 412.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3S2/c1-5-10-22-19(24)18(28-21(22)27)12-16-11-13(2)23(14(16)3)17-8-6-15(7-9-17)20(25)26-4/h5-9,11-12H,1,10H2,2-4H3/b18-12-InChIKey
DHTWJJZXHWOKAR-PDGQHHTCSA-NSynonyms
(Z)methyl4(3((3allyl4oxo2thioxothiazolidin5ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoate
C=CCN1C(=S)SC(=Cc2cc(n(c2C)c2ccc(cc2)C(=O)OC)C)C1=O
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C3C(=O)N(C(=S)S3)CC=C
InChI=1SC21H20N2O3S2c15102219(24)18(2821(22)27)12161113(2)23(14(16)3)178615(7917)20(25)264h591112H110H224H3b1812
METHYL4(25DIMETHYL3((Z)(4OXO3(PROP2EN1YL)2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)1HPYRROL1YL)BENZOATE
METHYL4(25DIMETHYL3((Z)(4OXO3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PYRROL1YL)BENZOATE
MFCD02107602
ZINC000013785997
ZINC13785997
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