Vitas-M small molecule compound
5-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2-(methylsulfanyl)pyrimidine-4-carboxamide
Catalog ID
STK909921
SMILES CSc1ncc(c(n1)C(=O)Nc1sc2c(c1C(=O)NC1CCS(=O)(=O)C1)CCC(C2)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 C20H23ClN4O4S3 MW 515.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN4O4S3/c1-10-3-4-12-14(7-10)31-19(15(12)17(26)23-11-5-6-32(28,29)9-11)25-18(27)16-13(21)8-22-20(24-16)30-2/h8,10-11H,3-7,9H2,1-2H3,(H,23,26)(H,25,27)InChIKey
IMWUMOJWRGHUJU-UHFFFAOYSA-NSynonyms
5chloroN(3((11dioxidotetrahydrothiophen3yl)carbamoyl)6methyl4567tetrahydro1benzothiophen2yl)2(methylsulfanyl)pyrimidine4carboxamide
5chloroN(3((11dioxothiolan3yl)carbamoyl)6methyl4567tetrahydro1benzothiophen2yl)2methylsulfanylpyrimidine4carboxamide
CC1CCC2=C(C1)SC(=C2C(=O)NC3CCS(=O)(=O)C3)NC(=O)C4=NC(=NC=C4Cl)SC
InChI=1SC20H23ClN4O4S3c110341214(710)3119(15(12)17(26)23115632(2829)911)2518(27)1613(21)82220(2416)302h81011H379H212H3(H2326)(H2527)
MFCD06630650
ZINC000008868287
ZINC000008868295
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