Vitas-M small molecule compound
2-ethoxy-4-{(E)-[2-({[(3-fluorophenyl)carbonyl]amino}acetyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate (non-preferred name)
Catalog ID
STK753478
SMILES CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccc(c2)F)ccc1OC(=O)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 C25H21FN4O7 MW 508.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN4O7/c1-2-36-22-12-16(6-11-21(22)37-25(33)17-7-9-20(10-8-17)30(34)35)14-28-29-23(31)15-27-24(32)18-4-3-5-19(26)13-18/h3-14H,2,15H2,1H3,(H,27,32)(H,29,31)/b28-14+InChIKey
BYMKLJIYDHSCBK-CCVNUDIWSA-NSynonyms
(2ethoxy4((E)((2((3fluorobenzoyl)amino)acetyl)hydrazinylidene)methyl)phenyl)4nitrobenzoate
2ETHOXY4((E)(2((((3FLUOROPHENYL)CARBONYL)AMINO)ACETYL)HYDRAZINYLIDENE)METHYL)PHENYL4NITROBENZOATE(NONPREFERREDNAME)
CCOC1=C(C=CC(=C1)C=NNC(=O)CNC(=O)C2=CC(=CC=C2)F)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
CCOc1cc(C=NNC(=O)CNC(=O)c2cccc(c2)F)ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC25H21FN4O7c1236221216(61121(22)3725(33)177920(10817)30(34)35)14282923(31)152724(32)1843519(26)1318h314H215H21H3(H2732)(H2931)b2814+
MFCD00823833
ZINC000015135275
ZINC33872835
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