Vitas-M small molecule compound

6-tert-butyl-4-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-2H-chromen-2-one

Catalog ID
STK588014
SMILES O=c1cc(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)c2c(o1)ccc(c2)C(C)(C)C

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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 C31H34N2O2 MW 466.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O2/c1-31(2,3)26-14-15-28-27(21-26)25(20-29(34)35-28)22-32-16-18-33(19-17-32)30(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,20-21,30H,16-19,22H2,1-3H3
InChIKey
DNINNVOTBULGEV-UHFFFAOYSA-N
Synonyms

4((4benzhydrylpiperazin1yl)methyl)6(tertbutyl)2Hchromen2onedihydrochloride
4((4BENZHYDRYLPIPERAZIN1YL)METHYL)6TERTBUTYLCHROMEN2ONE
6(TERTBUTYL)4((4(DIPHENYLMETHYL)PIPERAZINYL)METHYL)CHROMEN2ONE
6tertbutyl4((4(diphenylmethyl)piperazin1yl)methyl)2Hchromen2one
CC(C)(C)C1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC31H34N2O2c131(23)2614152827(2126)25(2029(34)3528)2232161833(191732)30(23106471123)24128591324h415202130H161922H213H3
MFCD05694822
O=c1cc(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)c2c(o1)ccc(c2)C(C)(C)CClCl
ZINC000020479764
ZINC20479764

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.