Vitas-M small molecule compound
ethyl 4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate
Catalog ID
STL079688
SMILES CCOC(=O)CCCSc1nc(N)c2c(n1)sc1c2CCCC1
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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 C16H21N3O2S2 MW 351.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O2S2/c1-2-21-12(20)8-5-9-22-16-18-14(17)13-10-6-3-4-7-11(10)23-15(13)19-16/h2-9H2,1H3,(H2,17,18,19)InChIKey
WOBKPSBIIPIUJK-UHFFFAOYSA-NSynonyms
315695-09-1315695091
CCOC(=O)CCCSC1=NC(=C2C3=C(CCCC3)SC2=N1)N
ethyl4((4amino5678tetrahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)butanoate
ethyl4((4amino5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)butanoate
InChI=1SC16H21N3O2S2c122112(20)85922161814(17)1310634711(10)2315(13)1916h29H21H3(H2171819)
MFCD02329906
ZINC000004116678
ZINC04116678
ZINC4116678
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