Vitas-M small molecule compound
(2E)-3-[3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
Catalog ID
STK811489
SMILES CCCCOc1ccc(c(c1)C)c1nn(cc1/C=C(/C(=O)NCc1cccnc1)\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 C30H29N5O2 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N5O2/c1-3-4-15-37-27-12-13-28(22(2)16-27)29-25(21-35(34-29)26-10-6-5-7-11-26)17-24(18-31)30(36)33-20-23-9-8-14-32-19-23/h5-14,16-17,19,21H,3-4,15,20H2,1-2H3,(H,33,36)/b24-17+InChIKey
JVSNVELTHFYYDU-JJIBRWJFSA-NSynonyms
(2E)3(3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)2cyanoN(pyridin3ylmethyl)prop2enamide
(E)3(3(4BUTOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)2CYANON(PYRIDIN3YLMETHYL)PROP2ENAMIDE
CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4)C
CCCCOc1ccc(c(c1)C)c1nn(cc1C=C(C(=O)NCc1cccnc1)C#N)c1ccccc1
InChI=1SC30H29N5O2c134153727121328(22(2)1627)2925(2135(3429)26106571126)1724(1831)30(36)3320239814321923h51416171921H341520H212H3(H3336)b2417+
MFCD06264875
ZINC000016805156
ZINC16805156
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