Vitas-M small molecule compound

3-benzyl-2-(benzylsulfanyl)-5-cyclohexyl-5-methyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one

Catalog ID
STK830022
SMILES O=c1n(Cc2ccccc2)c(SCc2ccccc2)nc2c1C(C)(Cc1c2cccc1)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 C33H34N2OS MW 506.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N2OS/c1-33(27-18-9-4-10-19-27)21-26-17-11-12-20-28(26)30-29(33)31(36)35(22-24-13-5-2-6-14-24)32(34-30)37-23-25-15-7-3-8-16-25/h2-3,5-8,11-17,20,27H,4,9-10,18-19,21-23H2,1H3
InChIKey
QECYBTXZZGSQGA-UHFFFAOYSA-N
Synonyms

3benzyl2(benzylsulfanyl)5cyclohexyl5methyl56dihydrobenzo(h)quinazolin4(3H)one
3benzyl2(benzylthio)5cyclohexyl5methyl56dihydrobenzo(h)quinazolin4(3H)one
3BENZYL2BENZYLSULFANYL5CYCLOHEXYL5METHYL6HBENZO(H)QUINAZOLIN4ONE
CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC4=CC=CC=C4)CC5=CC=CC=C5)C6CCCCC6
InChI=1SC33H34N2OSc133(271894101927)21261711122028(26)3029(33)31(36)35(2224135261424)32(3430)372325157381625h235811172027H491018192123H21H3
MFCD02240695
ZINC000001792479
ZINC000001792481

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Available files

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