Vitas-M small molecule compound
3-(4-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK831107
SMILES C=CCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CCCCC3
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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 C21H22N2O2S2 MW 398.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O2S2/c1-3-13-26-21-22-19-18(16-7-5-4-6-8-17(16)27-19)20(24)23(21)14-9-11-15(25-2)12-10-14/h3,9-12H,1,4-8,13H2,2H3InChIKey
GTNZEPGSMAUVEU-UHFFFAOYSA-NSynonyms
351160-13-92(allylthio)3(4methoxyphenyl)6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
3(4methoxyphenyl)2(prop2en1ylsulfanyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3(4methoxyphenyl)2prop2enylsulfanyl6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
351160139
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC=C)SC4=C3CCCCC4
InChI=1SC21H22N2O2S2c13132621221918(167546817(16)2719)20(24)23(21)1491115(252)121014h3912H14813H22H3
MFCD01995962
ZINC000002296451
ZINC02296451
ZINC2296451
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