Vitas-M small molecule compound
methyl 5-carbamoyl-2-{[(2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino}-4-methylthiophene-3-carboxylate
Catalog ID
STK434261
SMILES N#C/C(=C\c1c[nH]c2c1cccc2)/C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N
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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 C20H16N4O4S MW 408.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O4S/c1-10-15(20(27)28-2)19(29-16(10)17(22)25)24-18(26)11(8-21)7-12-9-23-14-6-4-3-5-13(12)14/h3-7,9,23H,1-2H3,(H2,22,25)(H,24,26)/b11-7+InChIKey
RDFKKLPURTXKOM-YRNVUSSQSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CNC3=CC=CC=C32)C#N)C(=O)N
InChI=1SC20H16N4O4Sc11015(20(27)282)19(2916(10)17(22)25)2418(26)11(821)71292314643513(12)14h37923H12H3(H22225)(H2426)b117+
METHYL2((2E)2CYANO3INDOL3YLPROP2ENOYLAMINO)5CARBAMOYL4METHYLTHIOPHENE3CARBOXYLATE
methyl5carbamoyl2(((2E)2cyano3(1Hindol3yl)prop2enoyl)amino)4methylthiophene3carboxylate
METHYL5CARBAMOYL2(((E)2CYANO3(1HINDOL3YL)PROP2ENOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD03942949
N#CC(=Cc1c(nH)c2c1cccc2)C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N
ZINC000006825031
ZINC06825031
ZINC6825031
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