Vitas-M small molecule compound

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

Catalog ID
STK833016
SMILES COc1ccc(cc1)n1c(SCCc2ccccc2)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 C32H32N2O2S MW 508.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N2O2S/c1-36-26-16-14-25(15-17-26)34-30(35)28-29(33-31(34)37-21-18-23-10-4-2-5-11-23)27-13-7-6-12-24(27)22-32(28)19-8-3-9-20-32/h2,4-7,10-17H,3,8-9,18-22H2,1H3
InChIKey
NOZOSSJRBMVXMM-UHFFFAOYSA-N
Synonyms
312585-35-6
3(4methoxyphenyl)2((2phenylethyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(4METHOXYPHENYL)2((2PHENYLETHYL)SULFANYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXANE)4(3H)ONE
3(4methoxyphenyl)2(2phenylethylsulfanyl)spiro(6Hbenzo(h)quinazoline51cyclohexane)4one
3(4methoxyphenyl)2(phenethylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(4METHOXYPHENYL)2PHENETHYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
312585356
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCCC6=CC=CC=C6
InChI=1SC32H32N2O2Sc13626161425(151726)3430(35)2829(3331(34)37211823104251123)2713761224(27)2232(28)198392032h2471017H3891822H21H3
MFCD01174981
ZINC000001818125
ZINC01818125
ZINC1818125

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.