Vitas-M small molecule compound
2-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
Catalog ID
STK659497
SMILES COc1cc2c(cc1OC)CC(C2=O)Sc1nc(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 C21H20N2O4S2 MW 428.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O4S2/c1-26-13-7-10-8-16(18(24)12(10)9-14(13)27-2)29-21-22-19(25)17-11-5-3-4-6-15(11)28-20(17)23-21/h7,9,16H,3-6,8H2,1-2H3,(H,22,23,25)InChIKey
TWDZNXLQYQHOPW-UHFFFAOYSA-NSynonyms
1144456-78-91144456789
2((4hydroxy5678tetrahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)56dimethoxy23dihydro1Hinden1one
2((56dimethoxy3oxo12dihydroinden2yl)sulfanyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
COC1=C(C=C2C(=C1)CC(C2=O)SC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC
InChI=1SC21H20N2O4S2c12613710816(18(24)12(10)914(13)272)29212219(25)1711534615(11)2820(17)2321h7916H368H212H3(H222325)
MFCD18168750
ZINC000031814412
ZINC000031814417
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