Vitas-M small molecule compound

1-(pentylsulfanyl)-4-(2-phenylethyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one

Catalog ID
STK526755
SMILES CCCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2CCc1ccccc1)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 C31H36N4OS MW 512.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N4OS/c1-2-3-12-21-37-30-33-32-29-34(20-17-23-13-6-4-7-14-23)28(36)26-27(35(29)30)25-16-9-8-15-24(25)22-31(26)18-10-5-11-19-31/h4,6-9,13-16H,2-3,5,10-12,17-22H2,1H3
InChIKey
TVFBMDGWCGCIQH-UHFFFAOYSA-N
Synonyms
373373-10-5
1(pentylsulfanyl)4(2phenylethyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1(pentylthio)4phenethyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
373373105
CCCCCSC1=NN=C2N1C3=C(C(=O)N2CCC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC31H36N4OSc1231221373033322934(201723136471423)28(36)2627(35(29)30)2516981524(25)2231(26)18105111931h4691316H23510121722H21H3
MFCD01946190
ZINC000002279784
ZINC2279784

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Available files

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