Vitas-M small molecule compound
2-methoxy-4-{(Z)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenyl 2-nitrobenzenesulfonate
Catalog ID
STK078509
SMILES COc1cc(ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)C
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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 C25H19N3O9S MW 537.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O9S/c1-15-7-10-17(11-8-15)27-24(30)18(23(29)26-25(27)31)13-16-9-12-20(21(14-16)36-2)37-38(34,35)22-6-4-3-5-19(22)28(32)33/h3-14H,1-2H3,(H,26,29,31)/b18-13-InChIKey
FBVBZBOZOYWLCO-AQTBWJFISA-NSynonyms
(2METHOXY4((Z)(1(4METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)2NITROBENZENESULFONATE
2METHOXY4((1(4METHYLPHENYL)246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)PHENYL2NITROBENZENESULFONATE
2METHOXY4((Z)(1(4METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENYL2NITROBENZENESULFONATE
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OS(=O)(=O)C4=CC=CC=C4(N+)(=O)(O))OC)C(=O)NC2=O
COc1cc(ccc1OS(=O)(=O)c1ccccc1(N+)(=O)(O))C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C
InChI=1SC25H19N3O9Sc11571017(11815)2724(30)18(23(29)2625(27)31)131691220(21(1416)362)3738(3435)22643519(22)28(32)33h314H12H3(H262931)b1813
MFCD01873494
STK078509
ZINC000100270425
ZINC100270425
Check stock
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Check stock on Vitas-MAvailable files
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