Vitas-M small molecule compound
(2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide
Catalog ID
STK821922
SMILES N#C/C(=C\c1cn(nc1c1ccc(cc1)C)c1ccccc1)/C(=O)NC1CCS(=O)(=O)C1
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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 C24H22N4O3S MW 446.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O3S/c1-17-7-9-18(10-8-17)23-20(15-28(27-23)22-5-3-2-4-6-22)13-19(14-25)24(29)26-21-11-12-32(30,31)16-21/h2-10,13,15,21H,11-12,16H2,1H3,(H,26,29)/b19-13+InChIKey
CJTRQLNCPBNPRH-CPNJWEJPSA-NSynonyms
(2E)2cyanoN(11dioxidotetrahydrothiophen3yl)3(3(4methylphenyl)1phenyl1Hpyrazol4yl)prop2enamide
(E)2cyanoN(11dioxothiolan3yl)3(3(4methylphenyl)1phenylpyrazol4yl)prop2enamide
CC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3CCS(=O)(=O)C3)C4=CC=CC=C4
InChI=1SC24H22N4O3Sc1177918(10817)2320(1528(2723)225324622)1319(1425)24(29)2621111232(3031)1621h210131521H111216H21H3(H2629)b1913+
MFCD03463130
N#CC(=Cc1cn(nc1c1ccc(cc1)C)c1ccccc1)C(=O)NC1CCS(=O)(=O)C1
ZINC000026966814
ZINC000026966826
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