Vitas-M small molecule compound

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

Catalog ID
STK832648
SMILES O=c1n(C2CCCCC2)c(SCc2ccccc2)nc2c1C1(CCCC1)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 C29H32N2OS MW 456.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2OS/c32-27-25-26(24-16-8-7-13-22(24)19-29(25)17-9-10-18-29)30-28(31(27)23-14-5-2-6-15-23)33-20-21-11-3-1-4-12-21/h1,3-4,7-8,11-13,16,23H,2,5-6,9-10,14-15,17-20H2
InChIKey
QVIHYMCZOFAIKB-UHFFFAOYSA-N
Synonyms
332024-67-6
2(benzylsulfanyl)3cyclohexyl3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(benzylthio)3cyclohexyl3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2BENZYLSULFANYL3CYCLOHEXYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
332024676
3CYCLOHEXYL2(BENZYLSULFANYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTANE)4(3H)ONE
3CYCLOHEXYL2(PHENYLMETHYLTHIO)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC6=CC=CC=C6
InChI=1SC29H32N2OSc32272526(2416871322(24)1929(25)179101829)3028(31(27)23145261523)332021113141221h1347811131623H25691014151720H2
MFCD01175077
ZINC000002060615
ZINC02060615
ZINC2060615

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Available files

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