Vitas-M small molecule compound
5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide
Catalog ID
STK912935
SMILES C=CCSc1ncc(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 C20H22ClN3O3S2 MW 452.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O3S2/c1-3-9-28-20-22-11-17(21)18(23-20)19(25)24(16-8-10-29(26,27)13-16)12-15-6-4-14(2)5-7-15/h3-7,11,16H,1,8-10,12-13H2,2H3InChIKey
NQNSMZZZJJPTAA-UHFFFAOYSA-NSynonyms
874206-90-35chloroN(11dioxidotetrahydrothiophen3yl)N(4methylbenzyl)2(prop2en1ylsulfanyl)pyrimidine4carboxamide
5chloroN(11dioxothiolan3yl)N((4methylphenyl)methyl)2prop2enylsulfanylpyrimidine4carboxamide
874206903
CC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)SCC=C
InChI=1SC20H22ClN3O3S2c1392820221117(21)18(2320)19(25)24(1681029(2627)1316)12156414(2)5715h371116H18101213H22H3
MFCD07427897
ZINC000008917379
ZINC000008917380
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