Vitas-M small molecule compound
1-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STK782122
SMILES CCC(NC(=O)c1cc2C(=O)CCCc2n(c1=O)c1ccc(cc1)Cl)(C#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 C22H21ClN2O3 MW 396.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O3/c1-4-22(3,5-2)24-20(27)17-13-16-18(7-6-8-19(16)26)25(21(17)28)15-11-9-14(23)10-12-15/h1,9-13H,5-8H2,2-3H3,(H,24,27)InChIKey
TUXYQTNYVMZZQA-UHFFFAOYSA-NSynonyms
1(4chlorophenyl)N(3methylpent1yn3yl)25dioxo125678hexahydroquinoline3carboxamide
1(4CHLOROPHENYL)N(3METHYLPENT1YN3YL)25DIOXO78DIHYDRO6HQUINOLINE3CARBOXAMIDE
CCC(C)(C#C)NC(=O)C1=CC2=C(CCCC2=O)N(C1=O)C3=CC=C(C=C3)Cl
InChI=1SC22H21ClN2O3c1422(352)2420(27)17131618(76819(16)26)25(21(17)28)1511914(23)101215h1913H58H223H3(H2427)
MFCD06016669
ZINC000004727542
ZINC000004727544
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