Vitas-M small molecule compound
methyl N-{[4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidin-1-yl]carbonyl}-beta-alaninate
Catalog ID
STK627546
SMILES COC(=O)CCNC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1
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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 C24H26ClN3O3 MW 439.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClN3O3/c1-31-21(29)8-12-27-24(30)28-13-9-16(10-14-28)22-20-7-6-19(25)15-18(20)5-4-17-3-2-11-26-23(17)22/h2-3,6-7,11,15H,4-5,8-10,12-14H2,1H3,(H,27,30)InChIKey
KECCLNNXRBNGIW-UHFFFAOYSA-NSynonyms
929967-91-9929967919
COC(=O)CCNC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
InChI=1SC24H26ClN3O3c13121(29)8122724(30)2813916(101428)22207619(25)1518(20)541732112623(17)22h23671115H458101214H21H3(H2730)
methyl3((4(8chloro56dihydrobenzo(12)cyclohepta(24b)pyridin11ylidene)piperidine1carbonyl)amino)propanoate
methyl3(4(8chloro5Hbenzo(56)cyclohepta(12b)pyridin11(6H)ylidene)piperidine1carboxamido)propanoate
methylN((4(8chloro56dihydro11Hbenzo(56)cyclohepta(12b)pyridin11ylidene)piperidin1yl)carbonyl)betaalaninate
MFCD09795698
ZINC000008993314
ZINC08993314
ZINC8993314
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