Vitas-M small molecule compound
methyl 2-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-4,5-dimethoxybenzoate
Catalog ID
STK082371
SMILES COC(=O)c1cc(OC)c(cc1NC=C1C(=O)NC(=S)NC1=O)OC
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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 C15H15N3O6S MW 365.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N3O6S/c1-22-10-4-7(14(21)24-3)9(5-11(10)23-2)16-6-8-12(19)17-15(25)18-13(8)20/h4-6,16H,1-3H3,(H2,17,18,19,20,25)InChIKey
OCURWWIGMPNJLH-UHFFFAOYSA-NSynonyms
COC(=O)c1cc(OC)c(cc1NC=C1C(=O)NC(=S)NC1=O)OC
COC1=C(C=C(C(=C1)C(=O)OC)NC=C2C(=O)NC(=S)NC2=O)OC
InChI=1SC15H15N3O6Sc1221047(14(21)243)9(511(10)232)166812(19)1715(25)1813(8)20h4616H13H3(H21718192025)
METHYL2(((46DIOXO2THIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)AMINO)45DIMETHOXYBENZOATE
METHYL2(((46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)AMINO)45DIMETHOXYBENZOATE
METHYL2((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYLAMINO)45DIMETHOXYBENZOATE
MFCD03033028
STK082371
ZINC000005577828
ZINC05577828
ZINC5577828
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