Vitas-M small molecule compound
N-[3-(acetylamino)phenyl]-2'-(butan-2-yl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Catalog ID
STL239115
SMILES CCC(N1C(=O)c2ccccc2C(C21CCCCC2)C(=O)Nc1cccc(c1)NC(=O)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 C27H33N3O3 MW 447.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O3/c1-4-18(2)30-26(33)23-14-7-6-13-22(23)24(27(30)15-8-5-9-16-27)25(32)29-21-12-10-11-20(17-21)28-19(3)31/h6-7,10-14,17-18,24H,4-5,8-9,15-16H2,1-3H3,(H,28,31)(H,29,32)InChIKey
CYHSNYICSNZZRB-UHFFFAOYSA-NSynonyms
1323955-46-91323955469
CCC(C)N1C(=O)C2=CC=CC=C2C(C13CCCCC3)C(=O)NC4=CC(=CC=C4)NC(=O)C
InChI=1SC27H33N3O3c1418(2)3026(33)2314761322(23)24(27(30)158591627)25(32)292112101120(1721)2819(3)31h671014171824H45891516H213H3(H2831)(H2932)
MFCD24858881
N(3(acetylamino)phenyl)2(butan2yl)1oxo14dihydro2Hspiro(cyclohexane13isoquinoline)4carboxamide
N(3acetamidophenyl)2(secbutyl)1oxo24dihydro1Hspiro(cyclohexane13isoquinoline)4carboxamide
N(3acetamidophenyl)2butan2yl1oxospiro(4Hisoquinoline31cyclohexane)4carboxamide
ZINC000071288423
ZINC000071288428
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