Vitas-M small molecule compound
methyl {[4-oxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK831051
SMILES COC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)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/c1-26-17(24)13-27-21-22-19-18(15-9-5-6-10-16(15)28-19)20(25)23(21)12-11-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13H2,1H3InChIKey
QXUFRFQSVLBKIZ-UHFFFAOYSA-NSynonyms
351162-14-6351162146
COC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CCC4=CC=CC=C4
InChI=1SC21H22N2O3S2c12617(24)132721221918(159561016(15)2819)20(25)23(21)1211147324814h2478H56913H21H3
methyl((4oxo3(2phenylethyl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((4oxo3(2phenylethyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((4oxo3phenethyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
MFCD01949205
ZINC000002281947
ZINC02281947
ZINC2281947
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