Vitas-M small molecule compound

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

Catalog ID
STK021163
SMILES Cc1ccc(cc1)n1c(SCC(=O)c2ccccc2)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 C32H30N2O2S MW 506.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O2S/c1-22-14-16-25(17-15-22)34-30(36)28-29(33-31(34)37-21-27(35)23-10-4-2-5-11-23)26-13-7-6-12-24(26)20-32(28)18-8-3-9-19-32/h2,4-7,10-17H,3,8-9,18-21H2,1H3
InChIKey
OKWBCMJFDHGNBF-UHFFFAOYSA-N
Synonyms
337496-02-3
2((2oxo2phenylethyl)thio)3(ptolyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(4METHYLPHENYL)2((2OXO2PHENYLETHYL)SULFANYL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
3(4METHYLPHENYL)2(2OXO2PHENYLETHYLTHIO)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(4METHYLPHENYL)2PHENACYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
337496023
CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)C6=CC=CC=C6
Cc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
InChI=1SC32H30N2O2Sc122141625(171522)3430(36)2829(3331(34)372127(35)23104251123)2613761224(26)2032(28)188391932h2471017H3891821H21H3
MFCD01559059
STK021163
ZINC000002254661
ZINC02254661
ZINC2254661

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Available files

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