Vitas-M small molecule compound
(2E)-2-cyano-3-[3-(4-methoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide
Catalog ID
STK812186
SMILES N#C/C(=C\c1cn(nc1c1ccc(cc1C)OC)c1ccccc1)/C(=O)NCc1cccnc1
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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 C27H23N5O2 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N5O2/c1-19-13-24(34-2)10-11-25(19)26-22(18-32(31-26)23-8-4-3-5-9-23)14-21(15-28)27(33)30-17-20-7-6-12-29-16-20/h3-14,16,18H,17H2,1-2H3,(H,30,33)/b21-14+InChIKey
QGBMPNAWSUAPJD-KGENOOAVSA-NSynonyms
(2E)2cyano3(3(4methoxy2methylphenyl)1phenyl1Hpyrazol4yl)N(pyridin3ylmethyl)prop2enamide
(E)2CYANO3(3(4METHOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)N(PYRIDIN3YLMETHYL)PROP2ENAMIDE
CC1=C(C=CC(=C1)OC)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4
InChI=1SC27H23N5O2c1191324(342)101125(19)2622(1832(3126)238435923)1421(1528)27(33)3017207612291620h3141618H17H212H3(H3033)b2114+
MFCD04445803
N#CC(=Cc1cn(nc1c1ccc(cc1C)OC)c1ccccc1)C(=O)NCc1cccnc1
ZINC000016805187
ZINC16805187
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