Vitas-M small molecule compound
5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(ethylsulfonyl)-N-(4-methoxybenzyl)pyrimidine-4-carboxamide
Catalog ID
STK911867
SMILES COc1ccc(cc1)CN(C(=O)c1nc(ncc1Cl)S(=O)(=O)CC)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/c1-3-31(27,28)19-21-10-16(20)17(22-19)18(24)23(14-8-9-30(25,26)12-14)11-13-4-6-15(29-2)7-5-13/h4-7,10,14H,3,8-9,11-12H2,1-2H3InChIKey
AAYYGKKBGVFCAO-UHFFFAOYSA-NSynonyms
5chloroN(11dioxidotetrahydrothiophen3yl)2(ethylsulfonyl)N(4methoxybenzyl)pyrimidine4carboxamide
5chloroN(11dioxothiolan3yl)2ethylsulfonylN((4methoxyphenyl)methyl)pyrimidine4carboxamide
CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)N(CC2=CC=C(C=C2)OC)C3CCS(=O)(=O)C3)Cl
InChI=1SC19H22ClN3O6S2c1331(2728)19211016(20)17(2219)18(24)23(148930(2526)1214)11134615(292)7513h471014H3891112H212H3
MFCD07426806
ZINC000008916376
ZINC000008916379
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