Vitas-M small molecule compound
ethyl 5-[2-(4-chlorophenyl)-2-oxoethoxy]-1-{[(Z)-(4-nitrophenyl)methylidene]amino}-1H-1,2,3-triazole-4-carboxylate
Catalog ID
STL446046
SMILES CCOC(=O)c1nnn(c1OCC(=O)c1ccc(cc1)Cl)/N=C\c1ccc(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 C20H16ClN5O6 MW 457.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN5O6/c1-2-31-20(28)18-19(32-12-17(27)14-5-7-15(21)8-6-14)25(24-23-18)22-11-13-3-9-16(10-4-13)26(29)30/h3-11H,2,12H2,1H3/b22-11-InChIKey
NUUCKGDAVLWDEA-JJFYIABZSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)N=CC2=CC=C(C=C2)(N+)(=O)(O))OCC(=O)C3=CC=C(C=C3)Cl
CCOC(=O)c1nnn(c1OCC(=O)c1ccc(cc1)Cl)N=Cc1ccc(cc1)(N+)(=O)(O)
ethyl5(2(4chlorophenyl)2oxoethoxy)1(((Z)(4nitrophenyl)methylidene)amino)1H123triazole4carboxylate
ETHYL5(2(4CHLOROPHENYL)2OXOETHOXY)1((Z)(4NITROPHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXYLATE
InChI=1SC20H16ClN5O6c123120(28)1819(321217(27)145715(21)8614)25(242318)2211133916(10413)26(29)30h311H212H21H3b2211
MFCD06242791
ZINC000033337969
ZINC1417750
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