Vitas-M small molecule compound

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

Catalog ID
STK805974
SMILES COc1ccc(cc1)n1c(SCc2ccccc2)nc2c(c1=O)C1(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 C31H30N2O2S MW 494.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O2S/c1-35-25-16-14-24(15-17-25)33-29(34)27-28(32-30(33)36-21-22-10-4-2-5-11-22)26-13-7-6-12-23(26)20-31(27)18-8-3-9-19-31/h2,4-7,10-17H,3,8-9,18-21H2,1H3
InChIKey
CYTOUIMYYNHLDA-UHFFFAOYSA-N
Synonyms
312585-28-7
2(benzylsulfanyl)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(benzylthio)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2BENZYLSULFANYL3(4METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(4METHOXYPHENYL)2(PHENYLMETHYLTHIO)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
312585287
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=CC=CC=C6
InChI=1SC31H30N2O2Sc13525161424(151725)3329(34)2728(3230(33)362122104251122)2613761223(26)2031(27)188391931h2471017H3891821H21H3
MFCD00688846
ZINC000002207832
ZINC02207832
ZINC2207832

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Available files

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