Vitas-M small molecule compound
(3E)-4-(azepan-1-yl)-3-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-methyl-2,4-dioxobutanamide
Catalog ID
STK775109
SMILES CNC(=O)C(=O)/C(=C/1\NC(C)(C)Cc2c1cccc2)/C(=O)N1CCCCCC1
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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 C22H29N3O3 MW 383.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O3/c1-22(2)14-15-10-6-7-11-16(15)18(24-22)17(19(26)20(27)23-3)21(28)25-12-8-4-5-9-13-25/h6-7,10-11,24H,4-5,8-9,12-14H2,1-3H3,(H,23,27)/b18-17+InChIKey
ZOKYQKQYABRQFR-ISLYRVAYSA-NSynonyms
(3E)4(AZEPAN1YL)3(33DIMETHYL24DIHYDROISOQUINOLIN1YLIDENE)NMETHYL24DIOXOBUTANAMIDE
(3E)4(azepan1yl)3(33dimethyl34dihydroisoquinolin1(2H)ylidene)Nmethyl24dioxobutanamide
CC1(CC2=CC=CC=C2C(=C(C(=O)C(=O)NC)C(=O)N3CCCCCC3)N1)C
CNC(=O)C(=O)C(=C1NC(C)(C)Cc2c1cccc2)C(=O)N1CCCCCC1
InChI=1SC22H29N3O3c122(2)141510671116(15)18(2422)17(19(26)20(27)233)21(28)251284591325h67101124H45891214H213H3(H2327)b1817+
MFCD04061985
ZINC000004685910
ZINC04685910
ZINC4685910
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