Vitas-M small molecule compound
4-[(4-{(E)-[1-(3-nitrophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STL494976
SMILES OC(=O)c1ccc(cc1)COc1ccc(cc1)/C=C/1\C(=O)NC(=O)N(C1=O)c1cccc(c1)[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 C25H17N3O8 MW 487.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17N3O8/c29-22-21(23(30)27(25(33)26-22)18-2-1-3-19(13-18)28(34)35)12-15-6-10-20(11-7-15)36-14-16-4-8-17(9-5-16)24(31)32/h1-13H,14H2,(H,31,32)(H,26,29,33)/b21-12+InChIKey
JVEUYHPSUGQBPP-CIAFOILYSA-NSynonyms
4((4((E)(1(3NITROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((4((E)(1(3nitrophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)methyl)benzoicacid
C1=CC(=CC(=C1)(N+)(=O)(O))N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)C(=O)NC2=O
InChI=1SC25H17N3O8c292221(23(30)27(25(33)2622)1821319(1318)28(34)35)121561020(11715)3614164817(9516)24(31)32h113H14H2(H3132)(H262933)b2112+
MFCD03994608
OC(=O)c1ccc(cc1)COc1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)(N+)(=O)(O)
ZINC000002832987
ZINC2832987
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