Vitas-M small molecule compound
ethyl 4-cyano-3-methyl-5-{[(2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoyl]amino}thiophene-2-carboxylate
Catalog ID
STK961065
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)/C=C/c1cnn(c1)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 C16H16N4O3S MW 344.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O3S/c1-4-23-16(22)14-10(2)12(7-17)15(24-14)19-13(21)6-5-11-8-18-20(3)9-11/h5-6,8-9H,4H2,1-3H3,(H,19,21)/b6-5+InChIKey
HOUVSWGUGPMDFV-AATRIKPKSA-NSynonyms
515857-43-9515857439
CCOC(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CN(N=C2)C)C#N)C
CCOC(=O)c1sc(c(c1C)C#N)NC(=O)C=Cc1cnn(c1)C
ethyl4cyano3methyl5(((2E)3(1methyl1Hpyrazol4yl)prop2enoyl)amino)thiophene2carboxylate
ETHYL4CYANO3METHYL5(((E)3(1METHYLPYRAZOL4YL)PROP2ENOYL)AMINO)THIOPHENE2CARBOXYLATE
ETHYL4CYANO3METHYL5((3(1METHYL1HPYRAZOL4YL)ACRYLOYL)AMINO)2THIOPHENECARBOXYLATE
InChI=1SC16H16N4O3Sc142316(22)1410(2)12(717)15(2414)1913(21)651181820(3)911h5689H4H213H3(H1921)b65+
MFCD02243824
ZINC000000375809
ZINC00375809
ZINC375809
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