Vitas-M small molecule compound
5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-(methylsulfonyl)pyrimidine-4-carboxamide
Catalog ID
STK908415
SMILES Cc1ccc(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 C18H20ClN3O5S2 MW 457.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClN3O5S2/c1-12-3-5-13(6-4-12)10-22(14-7-8-29(26,27)11-14)17(23)16-15(19)9-20-18(21-16)28(2,24)25/h3-6,9,14H,7-8,10-11H2,1-2H3InChIKey
AGRIEOYSTIJTMB-UHFFFAOYSA-NSynonyms
5chloroN(11dioxidotetrahydrothiophen3yl)N(4methylbenzyl)2(methylsulfonyl)pyrimidine4carboxamide
5chloroN(11dioxothiolan3yl)N((4methylphenyl)methyl)2methylsulfonylpyrimidine4carboxamide
CC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)S(=O)(=O)C
InChI=1SC18H20ClN3O5S2c1123513(6412)1022(147829(2627)1114)17(23)1615(19)92018(2116)28(224)25h36914H781011H212H3
MFCD06647796
ZINC000016752701
ZINC000016752703
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