Vitas-M small molecule compound
4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-N-[3-(morpholin-4-yl)propyl]piperidine-1-carbothioamide
Catalog ID
STK643099
SMILES Clc1ccc2c(c1)CCc1c(C2=C2CCN(CC2)C(=S)NCCCN2CCOCC2)nccc1
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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 C27H33ClN4OS MW 497.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33ClN4OS/c28-23-6-7-24-22(19-23)5-4-21-3-1-10-29-26(21)25(24)20-8-13-32(14-9-20)27(34)30-11-2-12-31-15-17-33-18-16-31/h1,3,6-7,10,19H,2,4-5,8-9,11-18H2,(H,30,34)InChIKey
BHAHYCKGVPNOIF-UHFFFAOYSA-NSynonyms
951964-29-74(8chloro56dihydro11Hbenzo(56)cyclohepta(12b)pyridin11ylidene)N(3(morpholin4yl)propyl)piperidine1carbothioamide
4(8chloro56dihydrobenzo(12)cyclohepta(24b)pyridin11ylidene)N(3morpholin4ylpropyl)piperidine1carbothioamide
4(8chloro5Hbenzo(56)cyclohepta(12b)pyridin11(6H)ylidene)N(3morpholinopropyl)piperidine1carbothioamide
951964297
C1CC2=C(C=CC(=C2)Cl)C(=C3CCN(CC3)C(=S)NCCCN4CCOCC4)C5=C1C=CC=N5
InChI=1SC27H33ClN4OSc2823672422(1923)542131102926(21)25(24)2081332(14920)27(34)301121231151733181631h13671019H245891118H2(H3034)
MFCD09857317
ZINC000013729794
ZINC13729794
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