Vitas-M small molecule compound

3-benzyl-2-(benzylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK722585
SMILES O=c1n(Cc2ccccc2)c(SCc2ccccc2)nc2c1C1(CCCCC1)Cc1c2cccc1

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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 C31H30N2OS MW 478.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2OS/c34-29-27-28(26-17-9-8-16-25(26)20-31(27)18-10-3-11-19-31)32-30(35-22-24-14-6-2-7-15-24)33(29)21-23-12-4-1-5-13-23/h1-2,4-9,12-17H,3,10-11,18-22H2
InChIKey
AEGPGZSHOZIYHW-UHFFFAOYSA-N
Synonyms
172984-46-2
172984462
3BENZYL2(BENZYLSULFANYL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
3BENZYL2(BENZYLSULFANYL)56DIHYDRO4(3H)OXOSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXANE)
3benzyl2(benzylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3BENZYL2(PHENYLMETHYLTHIO)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3BENZYL2BENZYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC5=CC=CC=C5)CC6=CC=CC=C6
InChI=1SC31H30N2OSc34292728(2617981625(26)2031(27)18103111931)3230(352224146271524)33(29)2123124151323h12491217H310111822H2
MFCD00320412
SPIRO(BENZO(H)QUINAZOLINE5(3H)1CYCLOHEXAN)4(6H)ONE3(PHENYLMETHYL)2((PHENYLMETHYL)THIO)
ZINC000001829839
ZINC01829839
ZINC1829839

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Available files

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