Vitas-M small molecule compound
(2Z)-2-cyano-3-[3-(4-ethylphenyl)-1H-pyrazol-4-yl]-N-(3-nitrophenyl)prop-2-enamide
Catalog ID
STK469943
SMILES N#C/C(=C/c1c[nH]nc1c1ccc(cc1)CC)/C(=O)Nc1cccc(c1)[N+](=O)[O-]
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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 C21H17N5O3 MW 387.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O3/c1-2-14-6-8-15(9-7-14)20-17(13-23-25-20)10-16(12-22)21(27)24-18-4-3-5-19(11-18)26(28)29/h3-11,13H,2H2,1H3,(H,23,25)(H,24,27)/b16-10-InChIKey
IQZBBGAMCZMERV-YBEGLDIGSA-NSynonyms
(2Z)2cyano3(3(4ethylphenyl)1Hpyrazol4yl)N(3nitrophenyl)prop2enamide
(2Z)2CYANO3(3(4ETHYLPHENYL)PYRAZOL4YL)N(3NITROPHENYL)PROP2ENAMIDE
(Z)2cyano3(5(4ethylphenyl)1Hpyrazol4yl)N(3nitrophenyl)prop2enamide
CCC1=CC=C(C=C1)C2=C(C=NN2)C=C(C#N)C(=O)NC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC21H17N5O3c12146815(9714)2017(13232520)1016(1222)21(27)241843519(1118)26(28)29h31113H2H21H3(H2325)(H2427)b1610
MFCD06106621
N#CC(=Cc1c(nH)nc1c1ccc(cc1)CC)C(=O)Nc1cccc(c1)(N+)(=O)(O)
ZINC000017079064
ZINC17079064
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