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}acetic acid
Catalog ID
STK049647
SMILES OC(=O)CSc1nc2sc3c(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 C16H18N2O3S2 MW 350.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O3S2/c1-9(2)7-18-15(21)13-10-5-3-4-6-11(10)23-14(13)17-16(18)22-8-12(19)20/h1,3-8H2,2H3,(H,19,20)InChIKey
HXHJTKDFSQULCS-UHFFFAOYSA-NSynonyms
353762-68-2((3(2methylprop2en1yl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)aceticacid
2((3(2methylallyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)aceticacid
2((3(2methylprop2enyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)aceticacid
353762682
CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)O)SC3=C2CCCC3
InChI=1SC16H18N2O3S2c19(2)71815(21)1310534611(10)2314(13)1716(18)22812(19)20h138H22H3(H1920)
MFCD01560316
OC(=O)CSc1nc2sc3c(c2c(=O)n1CC(=C)C)CCCC3
STK049647
ZINC000000236979
ZINC236979
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