Vitas-M small molecule compound
3-{4-[(4-nitrophenyl)carbonyl]piperazin-1-yl}-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Catalog ID
STK721207
SMILES N#Cc1c(nc(c2c1CCCC2)c1ccccc1)N1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[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 C27H25N5O3 MW 467.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3/c28-18-24-22-8-4-5-9-23(22)25(19-6-2-1-3-7-19)29-26(24)30-14-16-31(17-15-30)27(33)20-10-12-21(13-11-20)32(34)35/h1-3,6-7,10-13H,4-5,8-9,14-17H2InChIKey
IWZPBEPCIZWBSN-UHFFFAOYSA-NSynonyms
371198-18-43(4((4nitrophenyl)carbonyl)piperazin1yl)1phenyl5678tetrahydroisoquinoline4carbonitrile
3(4(4nitrobenzoyl)piperazin1yl)1phenyl5678tetrahydroisoquinoline4carbonitrile
371198184
C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=CC=C5
InChI=1SC27H25N5O3c28182422845923(22)25(196213719)2926(24)30141631(171530)27(33)20101221(131120)32(34)35h13671013H45891417H2
MFCD01563330
N#Cc1c(nc(c2c1CCCC2)c1ccccc1)N1CCN(CC1)C(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000020827542
ZINC20827542
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