Vitas-M small molecule compound
5-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenyl 3-chlorobenzoate
Catalog ID
STL383995
SMILES COc1ccc(cc1OC(=O)c1cccc(c1)Cl)C=C1C(=O)NC(=S)NC1=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 C19H13ClN2O5S MW 416.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13ClN2O5S/c1-26-14-6-5-10(7-13-16(23)21-19(28)22-17(13)24)8-15(14)27-18(25)11-3-2-4-12(20)9-11/h2-9H,1H3,(H2,21,22,23,24,28)InChIKey
YBWIJXOJSBDDSR-UHFFFAOYSA-NSynonyms
(5((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)3CHLOROBENZOATE
5((46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)2METHOXYPHENYL3CHLOROBENZOATE
5((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxyphenyl3chlorobenzoate
COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)OC(=O)C3=CC(=CC=C3)Cl
InChI=1SC19H13ClN2O5Sc126146510(71316(23)2119(28)2217(13)24)815(14)2718(25)1132412(20)911h29H1H3(H22122232428)
MFCD02896022
ZINC000000686350
ZINC00686350
ZINC686350
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