Vitas-M small molecule compound
2-[(3-hydroxypropyl)amino]-3-(4-methoxyphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK576524
SMILES OCCCNc1nc2sc3c(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 C21H25N3O3S MW 399.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O3S/c1-27-15-10-8-14(9-11-15)24-20(26)18-16-6-3-2-4-7-17(16)28-19(18)23-21(24)22-12-5-13-25/h8-11,25H,2-7,12-13H2,1H3,(H,22,23)InChIKey
QQDGFXGGEGPDON-UHFFFAOYSA-NSynonyms
898608-31-62((3hydroxypropyl)amino)3(4methoxyphenyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
2((3hydroxypropyl)amino)3(4methoxyphenyl)6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
2(3hydroxypropylamino)3(4methoxyphenyl)6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
898608316
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2NCCCO)SC4=C3CCCCC4
InChI=1SC21H25N3O3Sc1271510814(91115)2420(26)18166324717(16)2819(18)2321(24)221251325h81125H271213H21H3(H2223)
MFCD06609419
ZINC000002435041
ZINC02435041
ZINC2435041
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