Vitas-M small molecule compound
methyl 4-{[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate
Catalog ID
STK837533
SMILES COC(=O)c1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1C)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 C20H20N2O3S2 MW 400.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O3S2/c1-22-18(23)16-14-5-3-4-6-15(14)27-17(16)21-20(22)26-11-12-7-9-13(10-8-12)19(24)25-2/h7-10H,3-6,11H2,1-2H3InChIKey
BQFZNPLIXDNGJY-UHFFFAOYSA-NSynonyms
315239-33-9315239339
CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)OC)SC4=C2CCCC4
InChI=1SC20H20N2O3S2c12218(23)1614534615(14)2717(16)2120(22)2611127913(10812)19(24)252h710H3611H212H3
methyl4(((3methyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)methyl)benzoate
methyl4(((3methyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)methyl)benzoate
methyl4((3methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanylmethyl)benzoate
MFCD02222059
ZINC000000888831
ZINC00888831
ZINC888831
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