Vitas-M small molecule compound
2-[(1-hydroxybutan-2-yl)amino]-3-(4-methoxyphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK598617
SMILES CCC(Nc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CCCCC3)CO
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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 C22H27N3O3S MW 413.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O3S/c1-3-14(13-26)23-22-24-20-19(17-7-5-4-6-8-18(17)29-20)21(27)25(22)15-9-11-16(28-2)12-10-15/h9-12,14,26H,3-8,13H2,1-2H3,(H,23,24)InChIKey
JJPSGVVPWIOPSW-UHFFFAOYSA-NSynonyms
898608-40-72((1hydroxybutan2yl)amino)3(4methoxyphenyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
2((1hydroxybutan2yl)amino)3(4methoxyphenyl)6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
2(1hydroxybutan2ylamino)3(4methoxyphenyl)6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
898608407
CCC(CO)NC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1C4=CC=C(C=C4)OC
InChI=1SC22H27N3O3Sc1314(1326)2322242019(177546818(17)2920)21(27)25(22)1591116(282)121015h9121426H3813H212H3(H2324)
MFCD06607927
ZINC000002338172
ZINC000002338174
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