Vitas-M small molecule compound

2-methoxy-4-{(Z)-[1-(4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenyl 2-nitrobenzenesulfonate

Catalog ID
STK088554
SMILES COc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2ccc(c(c2)OC)OS(=O)(=O)c2ccccc2[N+](=O)[O-])/C1=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 C25H19N3O10S MW 553.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O10S/c1-36-17-10-8-16(9-11-17)27-24(30)18(23(29)26-25(27)31)13-15-7-12-20(21(14-15)37-2)38-39(34,35)22-6-4-3-5-19(22)28(32)33/h3-14H,1-2H3,(H,26,29,31)/b18-13-
InChIKey
WRKBTLSXCRHGPV-AQTBWJFISA-N
Synonyms

(2METHOXY4((Z)(1(4METHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)2NITROBENZENESULFONATE
2METHOXY4((Z)(1(4METHOXYPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENYL2NITROBENZENESULFONATE
COC1=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
COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(c(c2)OC)OS(=O)(=O)c2ccccc2(N+)(=O)(O))C1=O
InChI=1SC25H19N3O10Sc1361710816(91117)2724(30)18(23(29)2625(27)31)131571220(21(1415)372)3839(3435)22643519(22)28(32)33h314H12H3(H262931)b1813
MFCD03227905
STK088554
ZINC000100270723
ZINC100270723

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Available files

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