Vitas-M small molecule compound
4-{(Z)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenyl methanesulfonate
Catalog ID
STK385841
SMILES COc1cc(ccc1OS(=O)(=O)C)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
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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 C19H15ClN2O7S MW 450.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClN2O7S/c1-28-16-10-11(3-8-15(16)29-30(2,26)27)9-14-17(23)21-19(25)22(18(14)24)13-6-4-12(20)5-7-13/h3-10H,1-2H3,(H,21,23,25)/b14-9-InChIKey
LLRZOPFTXHQZAV-ZROIWOOFSA-NSynonyms
(4((Z)(1(4chlorophenyl)246trioxo13diazinan5ylidene)methyl)2methoxyphenyl)methanesulfonate
4((1(4CHLOROPHENYL)246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)2METHOXYPHENYLMETHYLSULFONATE
4((Z)(1(4CHLOROPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENYLMETHANESULFONATE
COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)OS(=O)(=O)C
COc1cc(ccc1OS(=O)(=O)C)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
InChI=1SC19H15ClN2O7Sc128161011(3815(16)2930(226)27)91417(23)2119(25)22(18(14)24)136412(20)5713h310H12H3(H212325)b149
MFCD03649084
ZINC000015944871
ZINC15944871
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