Vitas-M small molecule compound
2-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK542992
SMILES C/C(=C\CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3)/Cl
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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 C22H23ClN2OS2 MW 431.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN2OS2/c1-15(23)12-14-27-22-24-20-19(17-9-5-6-10-18(17)28-20)21(26)25(22)13-11-16-7-3-2-4-8-16/h2-4,7-8,12H,5-6,9-11,13-14H2,1H3/b15-12+InChIKey
TWTYNJSLPNELOU-NTCAYCPXSA-NSynonyms
497228-90-7(E)2((3chlorobut2en1yl)thio)3phenethyl5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2(((2E)3chlorobut2en1yl)sulfanyl)3(2phenylethyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((E)3chlorobut2enyl)sulfanyl3(2phenylethyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
497228907
CC(=CCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CCC4=CC=CC=C4)Cl
CC(=CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3)Cl
InChI=1SC22H23ClN2OS2c115(23)12142722242019(179561018(17)2820)21(26)25(22)1311167324816h247812H569111314H21H3b1512+
MFCD03300461
ZINC000009067896
ZINC09067896
ZINC9067896
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