Vitas-M small molecule compound
5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(ethylsulfanyl)-N-[4-(propan-2-yl)benzyl]pyrimidine-4-carboxamide
Catalog ID
STK908740
SMILES CCSc1ncc(c(n1)C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)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 C21H26ClN3O3S2 MW 468.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26ClN3O3S2/c1-4-29-21-23-11-18(22)19(24-21)20(26)25(17-9-10-30(27,28)13-17)12-15-5-7-16(8-6-15)14(2)3/h5-8,11,14,17H,4,9-10,12-13H2,1-3H3InChIKey
DLLYNQOVLFRUKH-UHFFFAOYSA-NSynonyms
880395-98-25chloroN(11dioxidotetrahydrothiophen3yl)2(ethylsulfanyl)N(4(propan2yl)benzyl)pyrimidine4carboxamide
5chloroN(11dioxothiolan3yl)2ethylsulfanylN((4propan2ylphenyl)methyl)pyrimidine4carboxamide
880395982
CCSC1=NC=C(C(=N1)C(=O)N(CC2=CC=C(C=C2)C(C)C)C3CCS(=O)(=O)C3)Cl
InChI=1SC21H26ClN3O3S2c142921231118(22)19(2421)20(26)25(1791030(2728)1317)12155716(8615)14(2)3h58111417H49101213H213H3
MFCD06648032
ZINC000009431793
ZINC000009431794
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