Vitas-M small molecule compound

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

Catalog ID
STK524699
SMILES COc1ccccc1n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCc1ccccc1

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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 C32H30N4O2S MW 534.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N4O2S/c1-38-26-17-9-8-16-25(26)35-29(37)27-28(24-15-7-6-14-23(24)20-32(27)18-10-3-11-19-32)36-30(35)33-34-31(36)39-21-22-12-4-2-5-13-22/h2,4-9,12-17H,3,10-11,18-21H2,1H3
InChIKey
XPDGICYLZDBZIH-UHFFFAOYSA-N
Synonyms
372497-68-2
1(benzylsulfanyl)4(2methoxyphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1(benzylthio)4(2methoxyphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
372497682
COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC7=CC=CC=C7
InChI=1SC32H30N4O2Sc1382617981625(26)3529(37)2728(2415761423(24)2032(27)18103111932)3630(35)333431(36)392122124251322h2491217H310111821H21H3
MFCD01943239
ZINC000002277029
ZINC2277029

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Available files

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