Vitas-M small molecule compound
(2E)-2-cyano-N-ethyl-3-{1-phenyl-3-[3-(piperidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}prop-2-enamide
Catalog ID
STK904408
SMILES CCNC(=O)/C(=C/c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCCC1)c1ccccc1)/C#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 C26H27N5O3S MW 489.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O3S/c1-2-28-26(32)21(18-27)16-22-19-31(23-11-5-3-6-12-23)29-25(22)20-10-9-13-24(17-20)35(33,34)30-14-7-4-8-15-30/h3,5-6,9-13,16-17,19H,2,4,7-8,14-15H2,1H3,(H,28,32)/b21-16+InChIKey
KLFDZDXKTPYNNO-LTGZKZEYSA-NSynonyms
(2E)2cyanoNethyl3(1phenyl3(3(piperidin1ylsulfonyl)phenyl)1Hpyrazol4yl)prop2enamide
(E)2CYANONETHYL3(1PHENYL3(3PIPERIDIN1YLSULFONYLPHENYL)PYRAZOL4YL)PROP2ENAMIDE
(Z)2cyanoNethyl3(1phenyl3(3(piperidin1ylsulfonyl)phenyl)1Hpyrazol4yl)acrylamide
CCNC(=O)C(=CC1=CN(N=C1C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4)C#N
CCNC(=O)C(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCCC1)c1ccccc1)C#N
InChI=1SC26H27N5O3Sc122826(32)21(1827)16221931(23115361223)2925(22)201091324(1720)35(3334)30147481530h356913161719H24781415H21H3(H2832)b2116+
MFCD18076070
ZINC000002406632
ZINC02406632
ZINC2406632
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