Vitas-M small molecule compound
ethyl (1-benzyl-2,4-dioxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl)acetate
Catalog ID
STK616770
SMILES CCOC(=O)Cn1c(=O)c2c3CCCCc3sc2n(c1=O)Cc1ccccc1
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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 C21H22N2O4S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S/c1-2-27-17(24)13-22-19(25)18-15-10-6-7-11-16(15)28-20(18)23(21(22)26)12-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3InChIKey
KNBFSWSXMUHVCX-UHFFFAOYSA-NSynonyms
904504-95-6904504956
CCOC(=O)CN1C(=O)C2=C(N(C1=O)CC3=CC=CC=C3)SC4=C2CCCC4
ethyl(1benzyl24dioxo145678hexahydro(1)benzothieno(23d)pyrimidin3(2H)yl)acetate
ethyl2(1benzyl24dioxo125678hexahydrobenzo(45)thieno(23d)pyrimidin3(4H)yl)acetate
ethyl2(1benzyl24dioxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)acetate
InChI=1SC21H22N2O4Sc122717(24)132219(25)181510671116(15)2820(18)23(21(22)26)12148435914h3589H2671013H21H3
MFCD08285069
ZINC000006661538
ZINC06661538
ZINC6661538
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