Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(3-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl 4-methylbenzoate
Catalog ID
STK949819
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1ccc(cc1)C)/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 C24H17N3O5 MW 427.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17N3O5/c1-16-5-9-18(10-6-16)24(29)32-22-11-7-17(8-12-22)13-19(15-25)23(28)26-20-3-2-4-21(14-20)27(30)31/h2-14H,1H3,(H,26,28)/b19-13+InChIKey
JIYPZAVSQUPJIL-CPNJWEJPSA-NSynonyms
(4((E)2cyano3(3nitroanilino)3oxoprop1enyl)phenyl)4methylbenzoate
4((1E)2CYANO2(N(3NITROPHENYL)CARBAMOYL)VINYL)PHENYL4METHYLBENZOATE
4((1E)2cyano3((3nitrophenyl)amino)3oxoprop1en1yl)phenyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC24H17N3O5c1165918(10616)24(29)322211717(81222)1319(1525)23(28)262032421(1420)27(30)31h214H1H3(H2628)b1913+
MFCD02364653
N#CC(=Cc1ccc(cc1)OC(=O)c1ccc(cc1)C)C(=O)Nc1cccc(c1)(N+)(=O)(O)
ZINC000000948751
ZINC00948751
ZINC948751
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