Vitas-M small molecule compound

4-{(2Z)-2-[3-chloro-2-(4-methylphenyl)-5-phenyl-1-benzoxepin-4(5H)-ylidene]ethyl}morpholine

Catalog ID
STK844468
SMILES Cc1ccc(cc1)C1=C(Cl)/C(=C\CN2CCOCC2)/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 C29H28ClNO2 MW 458.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28ClNO2/c1-21-11-13-23(14-12-21)29-28(30)25(15-16-31-17-19-32-20-18-31)27(22-7-3-2-4-8-22)24-9-5-6-10-26(24)33-29/h2-15,27H,16-20H2,1H3/b25-15-
InChIKey
TXANAMIQWJXMDT-MYYYXRDXSA-N
Synonyms

(Z)4(2(3chloro5phenyl2(ptolyl)benzo(b)oxepin4(5H)ylidene)ethyl)morpholinehydrochloride
4((2Z)2(3chloro2(4methylphenyl)5phenyl1benzoxepin4(5H)ylidene)ethyl)morpholine
4((2Z)2(3CHLORO2(4METHYLPHENYL)5PHENYL5H1BENZOXEPIN4YLIDENE)ETHYL)MORPHOLINE
CC1=CC=C(C=C1)C2=C(C(=CCN3CCOCC3)C(C4=CC=CC=C4O2)C5=CC=CC=C5)Cl
Cc1ccc(cc1)C1=C(Cl)C(=CCN2CCOCC2)C(c2c(O1)cccc2)c1ccccc1
Cc1ccc(cc1)C1=C(Cl)C(=CCN2CCOCC2)C(c2c(O1)cccc2)c1ccccc1Cl
InChI=1SC29H28ClNO2c121111323(141221)2928(30)25(151631171932201831)27(227324822)249561026(24)3329h21527H1620H21H3b2515
MFCD03675232
ZINC000020171506
ZINC000020171507

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Available files

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