Vitas-M small molecule compound
(2E)-3-(4-chloro-3-nitrophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
Catalog ID
STK180585
SMILES COc1ccc(cc1)c1oc2c(n1)cc(cc2)NC(=O)/C=C/c1ccc(c(c1)[N+](=O)[O-])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 C23H16ClN3O5 MW 449.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClN3O5/c1-31-17-7-4-15(5-8-17)23-26-19-13-16(6-10-21(19)32-23)25-22(28)11-3-14-2-9-18(24)20(12-14)27(29)30/h2-13H,1H3,(H,25,28)/b11-3+InChIKey
NVANABHHQAPSLG-QDEBKDIKSA-NSynonyms
(2E)3(4CHLORO3NITROPHENYL)N(2(4METHOXYPHENYL)13BENZOXAZOL5YL)PROP2ENAMIDE
(E)3(4CHLORO3NITROPHENYL)N(2(4METHOXYPHENYL)13BENZOXAZOL5YL)PROP2ENAMIDE
COC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C=CC4=CC(=C(C=C4)Cl)(N+)(=O)(O)
COc1ccc(cc1)c1oc2c(n1)cc(cc2)NC(=O)C=Cc1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC23H16ClN3O5c131177415(5817)2326191316(61021(19)3223)2522(28)113142918(24)20(1214)27(29)30h213H1H3(H2528)b113+
MFCD03242488
ZINC000001158661
ZINC01158661
ZINC1158661
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