Vitas-M small molecule compound
(2E)-3-[4-(benzyloxy)-5-methoxy-2-nitrophenyl]-2-(4-chlorophenyl)prop-2-enenitrile
Catalog ID
STK201100
SMILES N#C/C(=C/c1cc(OC)c(cc1[N+](=O)[O-])OCc1ccccc1)/c1ccc(cc1)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 C23H17ClN2O4 MW 420.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN2O4/c1-29-22-12-18(11-19(14-25)17-7-9-20(24)10-8-17)21(26(27)28)13-23(22)30-15-16-5-3-2-4-6-16/h2-13H,15H2,1H3/b19-11-InChIKey
BVSMYKOHLNVOON-ODLFYWEKSA-NSynonyms
(2E)3(4(BENZYLOXY)5METHOXY2NITROPHENYL)2(4CHLOROPHENYL)PROP2ENENITRILE
(E)2(4CHLOROPHENYL)3(5METHOXY2NITRO4PHENYLMETHOXYPHENYL)PROP2ENENITRILE
COC1=C(C=C(C(=C1)C=C(C#N)C2=CC=C(C=C2)Cl)(N+)(=O)(O))OCC3=CC=CC=C3
InChI=1SC23H17ClN2O4c129221218(1119(1425)177920(24)10817)21(26(27)28)1323(22)3015165324616h213H15H21H3b1911
MFCD05988032
N#CC(=Cc1cc(OC)c(cc1(N+)(=O)(O))OCc1ccccc1)c1ccc(cc1)Cl
ZINC000012364154
ZINC12364154
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