Vitas-M small molecule compound
{[3-(2-methylprop-2-en-1-yl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetonitrile
Catalog ID
STK829900
SMILES N#CCSc1nc2sc3c(c2c(=O)n1CC(=C)C)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 C16H17N3OS2 MW 331.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3OS2/c1-10(2)9-19-15(20)13-11-5-3-4-6-12(11)22-14(13)18-16(19)21-8-7-17/h1,3-6,8-9H2,2H3InChIKey
QJSLOUNTPYEBGS-UHFFFAOYSA-NSynonyms
351007-41-5((3(2methylprop2en1yl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetonitrile
2((3(2methylallyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetonitrile
2((3(2methylprop2enyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetonitrile
351007415
CC(=C)CN1C(=O)C2=C(N=C1SCC#N)SC3=C2CCCC3
InChI=1SC16H17N3OS2c110(2)91915(20)1311534612(11)2214(13)1816(19)218717h13689H22H3
MFCD01562087
ZINC000004785635
ZINC04785635
ZINC4785635
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