Vitas-M small molecule compound
5-chloro-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(methylsulfonyl)pyrimidine-4-carboxamide
Catalog ID
STK908204
SMILES COc1cc(ccc1OC)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 C19H22ClN3O7S2 MW 503.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22ClN3O7S2/c1-29-15-5-4-12(8-16(15)30-2)10-23(13-6-7-32(27,28)11-13)18(24)17-14(20)9-21-19(22-17)31(3,25)26/h4-5,8-9,13H,6-7,10-11H2,1-3H3InChIKey
ATHVOVLUFADGSV-UHFFFAOYSA-NSynonyms
5chloroN((34dimethoxyphenyl)methyl)N(11dioxothiolan3yl)2methylsulfonylpyrimidine4carboxamide
5chloroN(34dimethoxybenzyl)N(11dioxidotetrahydrothiophen3yl)2(methylsulfonyl)pyrimidine4carboxamide
COC1=C(C=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)S(=O)(=O)C)OC
InChI=1SC19H22ClN3O7S2c129155412(816(15)302)1023(136732(2728)1113)18(24)1714(20)92119(2217)31(325)26h458913H671011H213H3
MFCD06647669
ZINC000016752400
ZINC000016752403
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