Vitas-M small molecule compound
2-bromo-4-{(1E)-2-cyano-3-[(4-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl acetate
Catalog ID
STL382766
SMILES N#C/C(=C\c1ccc(c(c1)Br)OC(=O)C)/C(=O)Nc1ccc(cc1)[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 C18H12BrN3O5 MW 430.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12BrN3O5/c1-11(23)27-17-7-2-12(9-16(17)19)8-13(10-20)18(24)21-14-3-5-15(6-4-14)22(25)26/h2-9H,1H3,(H,21,24)/b13-8+InChIKey
QNBSROBWLLTZPC-MDWZMJQESA-NSynonyms
(2BROMO4((E)2CYANO3(4NITROANILINO)3OXOPROP1ENYL)PHENYL)ACETATE
2bromo4((1E)2cyano3((4nitrophenyl)amino)3oxoprop1en1yl)phenylacetate
4((1E)2CYANO2(N(4NITROPHENYL)CARBAMOYL)VINYL)2BROMOPHENYLACETATE
ACETICACID2BROMO4(2CYANO2(4NITROPHENYLCARBAMOYL)VINYL)PHENYLESTER
CC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)(N+)(=O)(O))Br
InChI=1SC18H12BrN3O5c111(23)27177212(916(17)19)813(1020)18(24)21143515(6414)22(25)26h29H1H3(H2124)b138+
MFCD02731758
N#CC(=Cc1ccc(c(c1)Br)OC(=O)C)C(=O)Nc1ccc(cc1)(N+)(=O)(O)
ZINC000013388045
ZINC13388045
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