Vitas-M small molecule compound
4-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Catalog ID
STK546385
SMILES CCc1nc(SC/C=C(/Cl)\C)c2c(n1)sc1c2CC(OC1)(C)C
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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 C17H21ClN2OS2 MW 368.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21ClN2OS2/c1-5-13-19-15(22-7-6-10(2)18)14-11-8-17(3,4)21-9-12(11)23-16(14)20-13/h6H,5,7-9H2,1-4H3/b10-6+InChIKey
ABEGFEXIYXADDD-UXBLZVDNSA-NSynonyms
488715-61-3(E)4((3chlorobut2en1yl)thio)2ethyl66dimethyl68dihydro5Hpyrano(4345)thieno(23d)pyrimidine
4(((2E)3chlorobut2en1yl)sulfanyl)2ethyl66dimethyl58dihydro6Hpyrano(4345)thieno(23d)pyrimidine
4((E)3chlorobut2enyl)sulfanyl2ethyl66dimethyl58dihydropyrano(23)thieno(24d)pyrimidine
488715613
CCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=N1)SCC=C(C)Cl
CCc1nc(SCC=C(Cl)C)c2c(n1)sc1c2CC(OC1)(C)C
InChI=1SC17H21ClN2OS2c15131915(227610(2)18)1411817(34)21912(11)2316(14)2013h6H579H214H3b106+
MFCD03290953
ZINC000002336474
ZINC02336474
ZINC2336474
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