Vitas-M small molecule compound

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

Catalog ID
STK698956
SMILES CCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

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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 C29H34N2OS MW 458.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2OS/c1-2-3-12-19-33-28-30-26-24-16-9-8-15-23(24)20-29(17-10-5-11-18-29)25(26)27(32)31(28)21-22-13-6-4-7-14-22/h4,6-9,13-16H,2-3,5,10-12,17-21H2,1H3
InChIKey
HLPIGWYGXIXDPX-UHFFFAOYSA-N
Synonyms

3benzyl2(pentylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3benzyl2(pentylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3BENZYL2PENTYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CCCCCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC29H34N2OSc1231219332830262416981523(24)2029(17105111829)25(26)27(32)31(28)2122136471422h4691316H23510121721H21H3
MFCD01807169
ZINC000001743343
ZINC01743343
ZINC1743343

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Available files

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