Vitas-M small molecule compound
5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethoxybenzyl)-2-(methylsulfonyl)pyrimidine-4-carboxamide
Catalog ID
STK908416
SMILES CCOc1ccc(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 C19H22ClN3O6S2 MW 487.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22ClN3O6S2/c1-3-29-15-6-4-13(5-7-15)11-23(14-8-9-31(27,28)12-14)18(24)17-16(20)10-21-19(22-17)30(2,25)26/h4-7,10,14H,3,8-9,11-12H2,1-2H3InChIKey
ORKXMTXFIQEFJL-UHFFFAOYSA-NSynonyms
5chloroN(11dioxidotetrahydrothiophen3yl)N(4ethoxybenzyl)2(methylsulfonyl)pyrimidine4carboxamide
5chloroN(11dioxothiolan3yl)N((4ethoxyphenyl)methyl)2methylsulfonylpyrimidine4carboxamide
CCOC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)S(=O)(=O)C
InChI=1SC19H22ClN3O6S2c1329156413(5715)1123(148931(2728)1214)18(24)1716(20)102119(2217)30(225)26h471014H3891112H212H3
MFCD06647797
ZINC000016752706
ZINC000016752709
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