Vitas-M small molecule compound
2-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-methoxy-3-methylphenyl)ethanone
Catalog ID
STK913904
SMILES COc1ccc(cc1C)C(=O)CSc1nc(O)c2c(n1)sc1c2CCCC1
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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 C20H20N2O3S2 MW 400.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O3S2/c1-11-9-12(7-8-15(11)25-2)14(23)10-26-20-21-18(24)17-13-5-3-4-6-16(13)27-19(17)22-20/h7-9H,3-6,10H2,1-2H3,(H,21,22,24)InChIKey
KTBBKGVRBGLNMQ-UHFFFAOYSA-NSynonyms
2((4hydroxy5678tetrahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)1(4methoxy3methylphenyl)ethanone
2(2(4methoxy3methylphenyl)2oxoethyl)sulfanyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1=C(C=CC(=C1)C(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OC
InChI=1SC20H20N2O3S2c111912(7815(11)252)14(23)1026202118(24)1713534616(13)2719(17)2220h79H3610H212H3(H212224)
MFCD03641874
ZINC000018031781
ZINC18031781
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