Vitas-M small molecule compound
(2E)-3-(2-chloro-5-nitrophenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Catalog ID
STK183175
SMILES N#C/C(=C\c1cc(ccc1Cl)[N+](=O)[O-])/C(=O)NCCc1c[nH]c2c1cccc2
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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 C20H15ClN4O3 MW 394.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN4O3/c21-18-6-5-16(25(27)28)10-14(18)9-15(11-22)20(26)23-8-7-13-12-24-19-4-2-1-3-17(13)19/h1-6,9-10,12,24H,7-8H2,(H,23,26)/b15-9+InChIKey
HBLHCDBXZQZQOU-OQLLNIDSSA-NSynonyms
(2E)3(2CHLORO5NITROPHENYL)2CYANON(2(1HINDOL3YL)ETHYL)PROP2ENAMIDE
(E)3(2CHLORO5NITROPHENYL)2CYANON(2(1HINDOL3YL)ETHYL)PROP2ENAMIDE
C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C(=CC3=C(C=CC(=C3)(N+)(=O)(O))Cl)C#N
InChI=1SC20H15ClN4O3c21186516(25(27)28)1014(18)915(1122)20(26)238713122419421317(13)19h169101224H78H2(H2326)b159+
MFCD03248120
N#CC(=Cc1cc(ccc1Cl)(N+)(=O)(O))C(=O)NCCc1c(nH)c2c1cccc2
ZINC000004723201
ZINC04723201
ZINC4723201
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