Vitas-M small molecule compound
(2E)-2-cyano-3-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(2-methoxyethyl)prop-2-enamide
Catalog ID
STK811470
SMILES CCCCCCOc1ccc(cc1)c1nn(cc1/C=C(/C(=O)NCCOC)\C#N)c1ccccc1
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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 C28H32N4O3 MW 472.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O3/c1-3-4-5-9-17-35-26-14-12-22(13-15-26)27-24(19-23(20-29)28(33)30-16-18-34-2)21-32(31-27)25-10-7-6-8-11-25/h6-8,10-15,19,21H,3-5,9,16-18H2,1-2H3,(H,30,33)/b23-19+InChIKey
GOWMXLFFGLTDBN-FCDQGJHFSA-NSynonyms
(2E)2cyano3(3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)N(2methoxyethyl)prop2enamide
(E)2CYANO3(3(4HEXOXYPHENYL)1PHENYLPYRAZOL4YL)N(2METHOXYETHYL)PROP2ENAMIDE
CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCOC)C3=CC=CC=C3
CCCCCCOc1ccc(cc1)c1nn(cc1C=C(C(=O)NCCOC)C#N)c1ccccc1
InChI=1SC28H32N4O3c13459173526141222(131526)2724(1923(2029)28(33)301618342)2132(3127)25107681125h6810151921H3591618H212H3(H3033)b2319+
MFCD06264859
ZINC000016805154
ZINC16805154
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