Vitas-M small molecule compound

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

Catalog ID
STK050209
SMILES O=C(c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCCC1)CCCC3

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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 C30H32N2O2S MW 484.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O2S/c33-25(21-11-3-1-4-12-21)20-35-29-31-27-24-16-8-7-13-22(24)19-30(17-9-10-18-30)26(27)28(34)32(29)23-14-5-2-6-15-23/h1,3-4,7-8,11-13,16,23H,2,5-6,9-10,14-15,17-20H2
InChIKey
YYXOFMPPEPNRCW-UHFFFAOYSA-N
Synonyms
337495-77-9
337495779
3CYCLOHEXYL2((2OXO2PHENYLETHYL)SULFANYL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTAN)4(6H)ONE
3CYCLOHEXYL2((2OXO2PHENYLETHYL)SULFANYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTANE)4(3H)ONE
3cyclohexyl2((2oxo2phenylethyl)thio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3CYCLOHEXYL2(2OXO2PHENYLETHYLTHIO)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
3CYCLOHEXYL2PHENACYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)C6=CC=CC=C6
InChI=1SC30H32N2O2Sc3325(21113141221)20352931272416871322(24)1930(179101830)26(27)28(34)32(29)23145261523h1347811131623H25691014151720H2
MFCD01559020
O=C(c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCCC1)CCCC3
STK050209
ZINC000002181970
ZINC02181970
ZINC2181970

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Available files

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