Vitas-M small molecule compound
2-methoxy-4-{(E)-[1-(4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenyl 4-methylbenzenesulfonate
Catalog ID
STL477271
SMILES COc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)OC)OS(=O)(=O)c2ccc(cc2)C)/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 C26H22N2O8S MW 522.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O8S/c1-16-4-11-20(12-5-16)37(32,33)36-22-13-6-17(15-23(22)35-3)14-21-24(29)27-26(31)28(25(21)30)18-7-9-19(34-2)10-8-18/h4-15H,1-3H3,(H,27,29,31)/b21-14+InChIKey
WLKLLMSKJVWCGP-KGENOOAVSA-NSynonyms
(2methoxy4((E)(1(4methoxyphenyl)246trioxo13diazinan5ylidene)methyl)phenyl)4methylbenzenesulfonate
2methoxy4((E)(1(4methoxyphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)OC)OC
COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(c(c2)OC)OS(=O)(=O)c2ccc(cc2)C)C1=O
InChI=1SC26H22N2O8Sc11641120(12516)37(3233)362213617(1523(22)353)142124(29)2726(31)28(25(21)30)187919(342)10818h415H13H3(H272931)b2114+
MFCD30713137
ZINC000334161211
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