Vitas-M small molecule compound
5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
Catalog ID
STK908431
SMILES CSc1ncc(c(n1)C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C)Cl
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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 C18H20ClN3O3S2 MW 425.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClN3O3S2/c1-12-3-5-13(6-4-12)10-22(14-7-8-27(24,25)11-14)17(23)16-15(19)9-20-18(21-16)26-2/h3-6,9,14H,7-8,10-11H2,1-2H3InChIKey
JRWDRIQHHIXBIH-UHFFFAOYSA-NSynonyms
880401-36-55chloroN(11dioxidotetrahydrothiophen3yl)N(4methylbenzyl)2(methylsulfanyl)pyrimidine4carboxamide
5chloroN(11dioxothiolan3yl)N((4methylphenyl)methyl)2methylsulfanylpyrimidine4carboxamide
880401365
CC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)SC
InChI=1SC18H20ClN3O3S2c1123513(6412)1022(147827(2425)1114)17(23)1615(19)92018(2116)262h36914H781011H212H3
MFCD06647809
ZINC000008612045
ZINC000008612046
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Check stock on Vitas-MAvailable files
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