Vitas-M small molecule compound
methyl 4-({[4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidin-1-yl]carbonyl}amino)butanoate
Catalog ID
STK622851
SMILES COC(=O)CCCNC(=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 C25H28ClN3O3 MW 453.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28ClN3O3/c1-32-22(30)5-3-13-28-25(31)29-14-10-17(11-15-29)23-21-9-8-20(26)16-19(21)7-6-18-4-2-12-27-24(18)23/h2,4,8-9,12,16H,3,5-7,10-11,13-15H2,1H3,(H,28,31)InChIKey
QLYFDXJHQZUAFQ-UHFFFAOYSA-NSynonyms
929831-99-2929831992
COC(=O)CCCNC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
InChI=1SC25H28ClN3O3c13222(30)53132825(31)29141017(111529)23219820(26)1619(21)761842122724(18)23h24891216H35710111315H21H3(H2831)
methyl4(((4(8chloro56dihydro11Hbenzo(56)cyclohepta(12b)pyridin11ylidene)piperidin1yl)carbonyl)amino)butanoate
methyl4((4(8chloro56dihydrobenzo(12)cyclohepta(24b)pyridin11ylidene)piperidine1carbonyl)amino)butanoate
methyl4(4(8chloro5Hbenzo(56)cyclohepta(12b)pyridin11(6H)ylidene)piperidine1carboxamido)butanoate
MFCD09846260
ZINC000009423141
ZINC09423141
ZINC9423141
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