Vitas-M small molecule compound
(2Z)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-[(5-chloro-2-methoxy-4-nitrophenyl)amino]prop-2-enal
Catalog ID
STL170911
SMILES O=C/C(=C\Nc1cc(Cl)c(cc1OC)[N+](=O)[O-])/c1nc2c(o1)ccc(c2)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 C17H11Cl2N3O5 MW 408.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11Cl2N3O5/c1-26-16-6-14(22(24)25)11(19)5-12(16)20-7-9(8-23)17-21-13-4-10(18)2-3-15(13)27-17/h2-8,20H,1H3/b9-7+InChIKey
NOMVLGKHHDMQQW-VQHVLOKHSA-NSynonyms
362500-52-5(2Z)2(5chloro13benzoxazol2yl)3((5chloro2methoxy4nitrophenyl)amino)prop2enal
(Z)2(5chloro13benzoxazol2yl)3(5chloro2methoxy4nitroanilino)prop2enal
362500525
COC1=CC(=C(C=C1NC=C(C=O)C2=NC3=C(O2)C=CC(=C3)Cl)Cl)(N+)(=O)(O)
InChI=1SC17H11Cl2N3O5c12616614(22(24)25)11(19)512(16)2079(823)172113410(18)2315(13)2717h2820H1H3b97+
MFCD01178725
O=CC(=CNc1cc(Cl)c(cc1OC)(N+)(=O)(O))c1nc2c(o1)ccc(c2)Cl
ZINC000005512121
ZINC05512121
ZINC5512121
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