Vitas-M small molecule compound
5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]-2-(propan-2-ylsulfanyl)pyrimidine-4-carboxamide
Catalog ID
STK516808
SMILES CC(Sc1ncc(c(n1)C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)C)Cl)C
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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 C22H28ClN3O3S2 MW 482.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28ClN3O3S2/c1-14(2)17-7-5-16(6-8-17)12-26(18-9-10-31(28,29)13-18)21(27)20-19(23)11-24-22(25-20)30-15(3)4/h5-8,11,14-15,18H,9-10,12-13H2,1-4H3InChIKey
DWMUHECMEBQKQF-UHFFFAOYSA-NSynonyms
897840-56-15chloroN(11dioxidotetrahydrothiophen3yl)N(4(propan2yl)benzyl)2(propan2ylsulfanyl)pyrimidine4carboxamide
5chloroN(11dioxothiolan3yl)N((4propan2ylphenyl)methyl)2propan2ylsulfanylpyrimidine4carboxamide
897840561
CC(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)SC(C)C
InChI=1SC22H28ClN3O3S2c114(2)177516(6817)1226(1891031(2829)1318)21(27)2019(23)112422(2520)3015(3)4h5811141518H9101213H214H3
MFCD08548757
ZINC000012062651
ZINC000012062652
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