Vitas-M small molecule compound

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

Catalog ID
STK524335
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCCc1ccccc1

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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 C33H32N4O2S MW 548.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N4O2S/c1-39-26-16-14-25(15-17-26)36-30(38)28-29(27-13-7-6-12-24(27)22-33(28)19-8-3-9-20-33)37-31(36)34-35-32(37)40-21-18-23-10-4-2-5-11-23/h2,4-7,10-17H,3,8-9,18-22H2,1H3
InChIKey
VAPZQYPSQLGOKB-UHFFFAOYSA-N
Synonyms
373372-04-4
373372044
4(4methoxyphenyl)1((2phenylethyl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4(4methoxyphenyl)1(phenethylthio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCCC7=CC=CC=C7
InChI=1SC33H32N4O2Sc13926161425(151726)3630(38)2829(2713761224(27)2233(28)198392033)3731(36)343532(37)40211823104251123h2471017H3891822H21H3
MFCD01946091
ZINC000002279723
ZINC2279723

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Available files

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