Vitas-M small molecule compound
(2E)-3-(4-chloro-3-nitrophenyl)-N-[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]prop-2-enamide
Catalog ID
STK096801
SMILES O=C(Nc1cc2nn(nc2cc1C)c1ccc(cc1)C)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C23H18ClN5O3 MW 447.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN5O3/c1-14-3-7-17(8-4-14)28-26-20-11-15(2)19(13-21(20)27-28)25-23(30)10-6-16-5-9-18(24)22(12-16)29(31)32/h3-13H,1-2H3,(H,25,30)/b10-6+InChIKey
HQEIVTRVKVTDSE-UXBLZVDNSA-NSynonyms
(2E)3(4CHLORO3NITROPHENYL)N(6METHYL2(4METHYLPHENYL)2HBENZOTRIAZOL5YL)PROP2ENAMIDE
(E)3(4CHLORO3NITROPHENYL)N(6METHYL2(4METHYLPHENYL)BENZOTRIAZOL5YL)PROP2ENAMIDE
CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C=CC4=CC(=C(C=C4)Cl)(N+)(=O)(O))C
InChI=1SC23H18ClN5O3c1143717(8414)2826201115(2)19(1321(20)2728)2523(30)106165918(24)22(1216)29(31)32h313H12H3(H2530)b106+
MFCD03109726
O=C(Nc1cc2nn(nc2cc1C)c1ccc(cc1)C)C=Cc1ccc(c(c1)(N+)(=O)(O))Cl
STK096801
ZINC000013895675
ZINC13895675
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