Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-3-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanamide
Catalog ID
STK837233
SMILES O=C(Nc1ccc2c(c1)OCO2)CCN1C(=S)S/C(=C\c2ccc(cc2)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 C21H18N2O4S2 MW 426.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O4S2/c1-13-2-4-14(5-3-13)10-18-20(25)23(21(28)29-18)9-8-19(24)22-15-6-7-16-17(11-15)27-12-26-16/h2-7,10-11H,8-9,12H2,1H3,(H,22,24)/b18-10-InChIKey
NPVGCQCYBCAXJL-ZDLGFXPLSA-NSynonyms
(Z)N(benzo(d)(13)dioxol5yl)3(5(4methylbenzylidene)4oxo2thioxothiazolidin3yl)propanamide
CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC4=C(C=C3)OCO4
InChI=1SC21H18N2O4S2c1132414(5313)101820(25)23(21(28)2918)9819(24)2215671617(1115)27122616h271011H8912H21H3(H2224)b1810
MFCD02369772
N(13BENZODIOXOL5YL)3((5Z)5((4METHYLPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANAMIDE
N(13benzodioxol5yl)3((5Z)5(4methylbenzylidene)4oxo2thioxo13thiazolidin3yl)propanamide
O=C(Nc1ccc2c(c1)OCO2)CCN1C(=S)SC(=Cc2ccc(cc2)C)C1=O
ZINC000013800393
ZINC13800393
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