Vitas-M small molecule compound
1-{(2Z)-2-[3-chloro-2-(4-methylphenyl)-5-phenyl-1-benzoxepin-4(5H)-ylidene]ethyl}piperidine
Catalog ID
STK551540
SMILES Cc1ccc(cc1)C1=C(Cl)/C(=C\CN2CCCCC2)/C(c2c(O1)cccc2)c1ccccc1
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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 C30H30ClNO MW 456.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30ClNO/c1-22-14-16-24(17-15-22)30-29(31)26(18-21-32-19-8-3-9-20-32)28(23-10-4-2-5-11-23)25-12-6-7-13-27(25)33-30/h2,4-7,10-18,28H,3,8-9,19-21H2,1H3/b26-18-InChIKey
JLYVNNLQOSECGB-ITYLOYPMSA-NSynonyms
(Z)1(2(3chloro5phenyl2(ptolyl)benzo(b)oxepin4(5H)ylidene)ethyl)piperidinehydrochloride
1((2Z)2(3chloro2(4methylphenyl)5phenyl1benzoxepin4(5H)ylidene)ethyl)piperidine
1((2Z)2(3CHLORO2(4METHYLPHENYL)5PHENYL5H1BENZOXEPIN4YLIDENE)ETHYL)PIPERIDINE
CC1=CC=C(C=C1)C2=C(C(=CCN3CCCCC3)C(C4=CC=CC=C4O2)C5=CC=CC=C5)Cl
Cc1ccc(cc1)C1=C(Cl)C(=CCN2CCCCC2)C(c2c(O1)cccc2)c1ccccc1
Cc1ccc(cc1)C1=C(Cl)C(=CCN2CCCCC2)C(c2c(O1)cccc2)c1ccccc1Cl
InChI=1SC30H30ClNOc122141624(171522)3029(31)26(182132198392032)28(23104251123)2512671327(25)3330h247101828H3891921H21H3b2618
MFCD03681968
ZINC000013689067
ZINC000057063780
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