Vitas-M small molecule compound
(2E)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-[1-(propan-2-yl)-1H-indol-3-yl]prop-2-enamide
Catalog ID
STK472894
SMILES N#C/C(=C\c1cn(c2c1cccc2)C(C)C)/C(=O)Nc1cc(ccc1Cl)[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 C21H17ClN4O3 MW 408.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O3/c1-13(2)25-12-15(17-5-3-4-6-20(17)25)9-14(11-23)21(27)24-19-10-16(26(28)29)7-8-18(19)22/h3-10,12-13H,1-2H3,(H,24,27)/b14-9+InChIKey
CTZIPXGNOKOKPU-NTEUORMPSA-NSynonyms
(2E)N(2CHLORO5NITROPHENYL)2CYANO3(1(METHYLETHYL)INDOL3YL)PROP2ENAMIDE
(2E)N(2chloro5nitrophenyl)2cyano3(1(propan2yl)1Hindol3yl)prop2enamide
(E)N(2chloro5nitrophenyl)2cyano3(1propan2ylindol3yl)prop2enamide
CC(C)N1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)NC3=C(C=CC(=C3)(N+)(=O)(O))Cl
InChI=1SC21H17ClN4O3c113(2)251215(17534620(17)25)914(1123)21(27)24191016(26(28)29)7818(19)22h3101213H12H3(H2427)b149+
MFCD07077435
N#CC(=Cc1cn(c2c1cccc2)C(C)C)C(=O)Nc1cc(ccc1Cl)(N+)(=O)(O)
ZINC000017088115
ZINC17088115
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