Vitas-M small molecule compound
3-bromo-4-[3-(diethylamino)-2-hydroxypropoxy]-8,9,10,11-tetrahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(7H)-one
Catalog ID
STK995692
SMILES CCN(CC(COc1c(Br)ccc2c1sc1c2c(=O)n2c(n1)CCCCC2)O)CC
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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 C22H28BrN3O3S MW 494.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28BrN3O3S/c1-3-25(4-2)12-14(27)13-29-19-16(23)10-9-15-18-21(30-20(15)19)24-17-8-6-5-7-11-26(17)22(18)28/h9-10,14,27H,3-8,11-13H2,1-2H3InChIKey
KFRNVVMCGVTUOJ-UHFFFAOYSA-NSynonyms
664347-68-63bromo4(3(diethylamino)2hydroxypropoxy)891011tetrahydro(1)benzothieno(2345)pyrimido(12a)azepin13(7H)one
664347686
CCN(CC)CC(COC1=C(C=CC2=C1SC3=C2C(=O)N4CCCCCC4=N3)Br)O
InChI=1SC22H28BrN3O3Sc1325(42)1214(27)13291916(23)109151821(3020(15)19)241786571126(17)22(18)28h9101427H381113H212H3
MFCD00336615
ZINC000009943219
ZINC000017903339
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