Vitas-M small molecule compound

5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(methylsulfonyl)-N-(4-propoxybenzyl)pyrimidine-4-carboxamide

Catalog ID
STK908566
SMILES CCCOc1ccc(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 C20H24ClN3O6S2 MW 502.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24ClN3O6S2/c1-3-9-30-16-6-4-14(5-7-16)12-24(15-8-10-32(28,29)13-15)19(25)18-17(21)11-22-20(23-18)31(2,26)27/h4-7,11,15H,3,8-10,12-13H2,1-2H3
InChIKey
DNMHBALOYBDMBI-UHFFFAOYSA-N
Synonyms

5chloroN(11dioxidotetrahydrothiophen3yl)2(methylsulfonyl)N(4propoxybenzyl)pyrimidine4carboxamide
5chloroN(11dioxothiolan3yl)2methylsulfonylN((4propoxyphenyl)methyl)pyrimidine4carboxamide
CCCOC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)S(=O)(=O)C
InChI=1SC20H24ClN3O6S2c13930166414(5716)1224(1581032(2829)1315)19(25)1817(21)112220(2318)31(226)27h471115H38101213H212H3
MFCD06647921
ZINC000016752846
ZINC000016752849

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Available files

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