Vitas-M small molecule compound
ethyl {[3-(cyclohexylmethyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK721957
SMILES CCOC(=O)CSc1nc2sc3c(c2c(=O)n1CC1CCCCC1)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 C21H28N2O3S2 MW 420.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O3S2/c1-2-26-17(24)13-27-21-22-19-18(15-10-6-7-11-16(15)28-19)20(25)23(21)12-14-8-4-3-5-9-14/h14H,2-13H2,1H3InChIKey
QLMAEMKXTMRRJU-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC4CCCCC4
ethyl((3(cyclohexylmethyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((3(cyclohexylmethyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
ethyl2((3(cyclohexylmethyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
InChI=1SC21H28N2O3S2c122617(24)132721221918(1510671116(15)2819)20(25)23(21)12148435914h14H213H21H3
MFCD01647591
ZINC000000994986
ZINC00994986
ZINC994986
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