Vitas-M small molecule compound
ethyl 4-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate
Catalog ID
STK836482
SMILES CCOC(=O)CCCSc1nc2sc3c(c2c(=O)[nH]1)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 C16H20N2O3S2 MW 352.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O3S2/c1-2-21-12(19)8-5-9-22-16-17-14(20)13-10-6-3-4-7-11(10)23-15(13)18-16/h2-9H2,1H3,(H,17,18,20)InChIKey
IFEOAHJEHHCLFX-UHFFFAOYSA-NSynonyms
325476-25-3325476253
CCOC(=O)CCCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1
CCOC(=O)CCCSc1nc2sc3c(c2c(=O)(nH)1)CCCC3
ethyl4((4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)butanoate
ethyl4((4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)butanoate
ethyl4((4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)butanoate
InChI=1SC16H20N2O3S2c122112(19)85922161714(20)1310634711(10)2315(13)1816h29H21H3(H171820)
MFCD01925720
ZINC000008742955
ZINC08742955
ZINC8742955
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