Vitas-M small molecule compound
5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)-2-(methylsulfonyl)pyrimidine-4-carboxamide
Catalog ID
STK909854
SMILES COc1ccc(cc1)CN(C(=O)c1nc(ncc1Cl)S(=O)(=O)C)C1CCS(=O)(=O)C1
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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 C18H20ClN3O6S2 MW 473.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClN3O6S2/c1-28-14-5-3-12(4-6-14)10-22(13-7-8-30(26,27)11-13)17(23)16-15(19)9-20-18(21-16)29(2,24)25/h3-6,9,13H,7-8,10-11H2,1-2H3InChIKey
OXXRNIFUCJHRAT-UHFFFAOYSA-NSynonyms
5chloroN(11dioxidotetrahydrothiophen3yl)N(4methoxybenzyl)2(methylsulfonyl)pyrimidine4carboxamide
5chloroN(11dioxothiolan3yl)N((4methoxyphenyl)methyl)2methylsulfonylpyrimidine4carboxamide
COC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)S(=O)(=O)C
InChI=1SC18H20ClN3O6S2c128145312(4614)1022(137830(2627)1113)17(23)1615(19)92018(2116)29(224)25h36913H781011H212H3
MFCD06649026
ZINC000008868114
ZINC000008868118
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