Vitas-M small molecule compound
methyl 5-carbamoyl-2-{[(2E)-2-cyano-3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoyl]amino}-4-methylthiophene-3-carboxylate
Catalog ID
STK434254
SMILES N#C/C(=C\c1cccn1C)/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 C17H16N4O4S MW 372.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O4S/c1-9-12(17(24)25-3)16(26-13(9)14(19)22)20-15(23)10(8-18)7-11-5-4-6-21(11)2/h4-7H,1-3H3,(H2,19,22)(H,20,23)/b10-7+InChIKey
OYQKXDBMSOKFNP-JXMROGBWSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CC=CN2C)C#N)C(=O)N
InChI=1SC17H16N4O4Sc1912(17(24)253)16(2613(9)14(19)22)2015(23)10(818)71154621(11)2h47H13H3(H21922)(H2023)b107+
METHYL2((2E)2CYANO3(1METHYLPYRROL2YL)PROP2ENOYLAMINO)5CARBAMOYL4METHYLTHIOPHENE3CARBOXYLATE
methyl5carbamoyl2(((2E)2cyano3(1methyl1Hpyrrol2yl)prop2enoyl)amino)4methylthiophene3carboxylate
METHYL5CARBAMOYL2(((E)2CYANO3(1METHYLPYRROL2YL)PROP2ENOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD03942854
N#CC(=Cc1cccn1C)C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N
ZINC000006825035
ZINC06825035
ZINC6825035
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.