Vitas-M small molecule compound
3-(2-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK941532
SMILES OC1=Nc2ccccc2CCC1n1cnc2c(c1=O)c1CCCCCc1s2
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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 C21H21N3O2S MW 379.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2S/c25-19-16(11-10-13-6-4-5-8-15(13)23-19)24-12-22-20-18(21(24)26)14-7-2-1-3-9-17(14)27-20/h4-6,8,12,16H,1-3,7,9-11H2,(H,23,25)InChIKey
HJIBLUCDQSQYMO-UHFFFAOYSA-NSynonyms
1214100-10-31214100103
3(2hydroxy45dihydro3H1benzazepin3yl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3(2oxo1345tetrahydro1benzazepin3yl)6789tetrahydro5Hcyclohepta(23)thieno(24d)pyrimidin4one
C1CCC2=C(CC1)SC3=C2C(=O)N(C=N3)C4CCC5=CC=CC=C5NC4=O
InChI=1SC21H21N3O2Sc251916(111013645815(13)2319)2412222018(21(24)26)147213917(14)2720h4681216H137911H2(H2325)
MFCD18179839
ZINC000036367329
ZINC000036367330
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