Vitas-M small molecule compound
3-(4-{[2-(7,8-dimethyl-2-oxo-2H-chromen-4-yl)-7-methylfuro[2,3-c]pyridin-4-yl]methyl}piperazin-1-yl)propanenitrile
Catalog ID
STL310432
SMILES N#CCCN1CCN(CC1)Cc1cnc(c2c1cc(o2)c1cc(=O)oc2c1ccc(c2C)C)C
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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 C27H28N4O3 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3/c1-17-5-6-21-23(14-25(32)34-26(21)18(17)2)24-13-22-20(15-29-19(3)27(22)33-24)16-31-11-9-30(10-12-31)8-4-7-28/h5-6,13-15H,4,8-12,16H2,1-3H3InChIKey
BCAGSVNHZBGUOU-UHFFFAOYSA-NSynonyms
3(4((2(78dimethyl2oxo2Hchromen4yl)7methylfuro(23c)pyridin4yl)methyl)piperazin1yl)propanenitrile
3(4((2(78dimethyl2oxo2Hchromen4yl)7methylfuro(23c)pyridin4yl)methyl)piperazin1yl)propanenitriledihydrochloride
3(4((2(78dimethyl2oxochromen4yl)7methylfuro(23c)pyridin4yl)methyl)piperazin1yl)propanenitrile
CC1=C(C2=C(C=C1)C(=CC(=O)O2)C3=CC4=C(O3)C(=NC=C4CN5CCN(CC5)CCC#N)C)C
InChI=1SC27H28N4O3c117562123(1425(32)3426(21)18(17)2)24132220(152919(3)27(22)3324)163111930(101231)84728h561315H481216H213H3
MFCD28025518
N#CCCN1CCN(CC1)Cc1cnc(c2c1cc(o2)c1cc(=O)oc2c1ccc(c2C)C)CClCl
ZINC000095473329
ZINC95473329
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