Vitas-M small molecule compound
ethyl {[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK805066
SMILES CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)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 C21H22N2O4S2 MW 430.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S2/c1-3-27-17(24)12-28-21-22-19-18(15-6-4-5-7-16(15)29-19)20(25)23(21)13-8-10-14(26-2)11-9-13/h8-11H,3-7,12H2,1-2H3InChIKey
BDKLYPZPJIESKV-UHFFFAOYSA-NSynonyms
332392-83-3332392833
CCOC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=C(C=C4)OC
ethyl((3(4methoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((3(4methoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
ethyl2((3(4methoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
InChI=1SC21H22N2O4S2c132717(24)122821221918(15645716(15)2919)20(25)23(21)1381014(262)11913h811H3712H212H3
MFCD01465993
ZINC000000755285
ZINC00755285
ZINC755285
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