Vitas-M small molecule compound

4-(2-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
STK525277
SMILES COc1ccccc1n1c2nnc(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/c1-39-27-17-9-8-16-26(27)36-30(38)28-29(25-15-7-6-14-24(25)22-33(28)19-10-3-11-20-33)37-31(36)34-35-32(37)40-21-18-23-12-4-2-5-13-23/h2,4-9,12-17H,3,10-11,18-22H2,1H3
InChIKey
SNPBTNUIXZJVKN-UHFFFAOYSA-N
Synonyms
373373-17-2
373373172
4(2methoxyphenyl)1((2phenylethyl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4(2methoxyphenyl)1(phenethylthio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCCC7=CC=CC=C7
InChI=1SC33H32N4O2Sc1392717981626(27)3630(38)2829(2515761424(25)2233(28)19103112033)3731(36)343532(37)40211823124251323h2491217H310111822H21H3
MFCD01946987
ZINC000001740664
ZINC1740664

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Available files

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