Vitas-M small molecule compound
3-bromo-4-[3-(butylamino)-2-hydroxypropoxy]-8,9,10,11-tetrahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(7H)-one
Catalog ID
STK365517
SMILES CCCCNCC(COc1c(Br)ccc2c1sc1c2c(=O)n2c(n1)CCCCC2)O
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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/c1-2-3-10-24-12-14(27)13-29-19-16(23)9-8-15-18-21(30-20(15)19)25-17-7-5-4-6-11-26(17)22(18)28/h8-9,14,24,27H,2-7,10-13H2,1H3InChIKey
ZMDCUAVEWIFNMR-UHFFFAOYSA-NSynonyms
3bromo4(3(butylamino)2hydroxypropoxy)891011tetrahydro(1)benzothieno(2345)pyrimido(12a)azepin13(7H)one
CCCCNCC(COC1=C(C=CC2=C1SC3=C2C(=O)N4CCCCCC4=N3)Br)O
InChI=1SC22H28BrN3O3Sc12310241214(27)13291916(23)98151821(3020(15)19)251775461126(17)22(18)28h89142427H271013H21H3
MFCD00344553
ZINC000002895919
ZINC000002895920
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