Vitas-M small molecule compound
4-[(2-{(Z)-[1-(3-nitrophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STL484757
SMILES OC(=O)c1ccc(cc1)COc1ccccc1/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/c29-22-20(23(30)27(25(33)26-22)18-5-3-6-19(13-18)28(34)35)12-17-4-1-2-7-21(17)36-14-15-8-10-16(11-9-15)24(31)32/h1-13H,14H2,(H,31,32)(H,26,29,33)/b20-12-InChIKey
JPHSLCXHQAJFPD-NDENLUEZSA-NSynonyms
4((2((Z)(1(3NITROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2((Z)(1(3nitrophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)methyl)benzoicacid
C1=CC=C(C(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)(N+)(=O)(O))OCC4=CC=C(C=C4)C(=O)O
InChI=1SC25H17N3O8c292220(23(30)27(25(33)2622)1853619(1318)28(34)35)1217412721(17)36141581016(11915)24(31)32h113H14H2(H3132)(H262933)b2012
MFCD03993249
OC(=O)c1ccc(cc1)COc1ccccc1C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)(N+)(=O)(O)
ZINC000016246998
ZINC16246998
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