Vitas-M small molecule compound
propan-2-yl 5-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-4-cyano-3-methylthiophene-2-carboxylate
Catalog ID
STK443348
SMILES N#Cc1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc(c1C)C(=O)OC(C)C
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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 C20H18N2O5S MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5S/c1-11(2)27-20(24)18-12(3)14(9-21)19(28-18)22-17(23)7-5-13-4-6-15-16(8-13)26-10-25-15/h4-8,11H,10H2,1-3H3,(H,22,23)/b7-5+InChIKey
CCADPECSLFVMMW-FNORWQNLSA-NSynonyms
CC1=C(SC(=C1C#N)NC(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)OC(C)C
InChI=1SC20H18N2O5Sc111(2)2720(24)1812(3)14(921)19(2818)2217(23)7513461516(813)26102515h4811H10H213H3(H2223)b75+
METHYLETHYL5((2E)3(2HBENZO(34D)13DIOXOLAN5YL)PROP2ENOYLAMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
MFCD01343884
N#Cc1c(NC(=O)C=Cc2ccc3c(c2)OCO3)sc(c1C)C(=O)OC(C)C
propan2yl5(((2E)3(13benzodioxol5yl)prop2enoyl)amino)4cyano3methylthiophene2carboxylate
PROPAN2YL5(((E)3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
ZINC000002737262
ZINC02737262
ZINC2737262
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