Vitas-M small molecule compound
2-{[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL122395
SMILES COc1cc(C)c(cc1C)C(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3
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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 C21H22N2O3S2 MW 414.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S2/c1-11-9-16(26-3)12(2)8-14(11)15(24)10-27-21-22-19(25)18-13-6-4-5-7-17(13)28-20(18)23-21/h8-9H,4-7,10H2,1-3H3,(H,22,23,25)InChIKey
FBSMLKWIOKFNNK-UHFFFAOYSA-NSynonyms
2((2(4methoxy25dimethylphenyl)2oxoethyl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(2(4methoxy25dimethylphenyl)2oxoethyl)sulfanyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1=CC(=C(C=C1C(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)C)OC
COc1cc(C)c(cc1C)C(=O)CSc1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC21H22N2O3S2c111916(263)12(2)814(11)15(24)1027212219(25)1813645717(13)2820(18)2321h89H4710H213H3(H222325)
MFCD17011676
ZINC000048513863
ZINC48513863
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