Vitas-M small molecule compound
4-[(4-{(E)-[1-(4-nitrophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STL494979
SMILES OC(=O)c1ccc(cc1)COc1ccc(cc1)/C=C/1\C(=O)NC(=O)N(C1=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 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)18-7-9-19(10-8-18)28(34)35)13-15-3-11-20(12-4-15)36-14-16-1-5-17(6-2-16)24(31)32/h1-13H,14H2,(H,31,32)(H,26,29,33)/b21-13+InChIKey
BFDJZPGVYOEFQD-FYJGNVAPSA-NSynonyms
4((4((E)(1(4NITROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((4((E)(1(4nitrophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)methyl)benzoicacid
C1=CC(=CC=C1COC2=CC=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)O
InChI=1SC25H17N3O8c292221(23(30)27(25(33)2622)187919(10818)28(34)35)131531120(12415)3614161517(6216)24(31)32h113H14H2(H3132)(H262933)b2113+
MFCD03994082
OC(=O)c1ccc(cc1)COc1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000016265686
ZINC16265686
Check stock
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Check stock on Vitas-MAvailable files
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