Vitas-M small molecule compound
methyl 3-{[(2E)-2-{[(4-butoxyphenyl)carbonyl]amino}-3-(4-nitrophenyl)prop-2-enoyl]amino}benzoate
Catalog ID
STK382033
SMILES CCCCOc1ccc(cc1)C(=O)N/C(=C/c1ccc(cc1)[N+](=O)[O-])/C(=O)Nc1cccc(c1)C(=O)OC
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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 C28H27N3O7 MW 517.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O7/c1-3-4-16-38-24-14-10-20(11-15-24)26(32)30-25(17-19-8-12-23(13-9-19)31(35)36)27(33)29-22-7-5-6-21(18-22)28(34)37-2/h5-15,17-18H,3-4,16H2,1-2H3,(H,29,33)(H,30,32)/b25-17+InChIKey
ZQDKSJTWHCKCMY-KOEQRZSOSA-NSynonyms
CCCCOC1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)(N+)(=O)(O))C(=O)NC3=CC=CC(=C3)C(=O)OC
CCCCOc1ccc(cc1)C(=O)NC(=Cc1ccc(cc1)(N+)(=O)(O))C(=O)Nc1cccc(c1)C(=O)OC
InChI=1SC28H27N3O7c134163824141020(111524)26(32)3025(171981223(13919)31(35)36)27(33)292275621(1822)28(34)372h5151718H3416H212H3(H2933)(H3032)b2517+
methyl3(((2E)2(((4butoxyphenyl)carbonyl)amino)3(4nitrophenyl)prop2enoyl)amino)benzoate
METHYL3(((E)2((4BUTOXYBENZOYL)AMINO)3(4NITROPHENYL)PROP2ENOYL)AMINO)BENZOATE
METHYL3((2E)2((4BUTOXYPHENYL)CARBONYLAMINO)3(4NITROPHENYL)PROP2ENOYLAMINO)BENZOATE
MFCD03273756
ZINC000008722294
ZINC08722294
ZINC8722294
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