Vitas-M small molecule compound
methyl 5-carbamoyl-2-{[(2E)-2-cyano-3-(thiophen-3-yl)prop-2-enoyl]amino}-4-methylthiophene-3-carboxylate
Catalog ID
STK434248
SMILES N#C/C(=C\c1cscc1)/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 C16H13N3O4S2 MW 375.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O4S2/c1-8-11(16(22)23-2)15(25-12(8)13(18)20)19-14(21)10(6-17)5-9-3-4-24-7-9/h3-5,7H,1-2H3,(H2,18,20)(H,19,21)/b10-5+InChIKey
NFVXQWBKGXYTJJ-BJMVGYQFSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CSC=C2)C#N)C(=O)N
InChI=1SC16H13N3O4S2c1811(16(22)232)15(2512(8)13(18)20)1914(21)10(617)59342479h357H12H3(H21820)(H1921)b105+
METHYL2((2E)2CYANO3(3THIENYL)PROP2ENOYLAMINO)5CARBAMOYL4METHYLTHIOPHENE3CARBOXYLATE
methyl5carbamoyl2(((2E)2cyano3(thiophen3yl)prop2enoyl)amino)4methylthiophene3carboxylate
METHYL5CARBAMOYL2(((E)2CYANO3THIOPHEN3YLPROP2ENOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD03942849
N#CC(=Cc1cscc1)C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N
ZINC000008299848
ZINC08299848
ZINC8299848
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