Vitas-M small molecule compound
1-(benzylsulfanyl)-4-(4-methylphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK525488
SMILES Cc1ccc(cc1)n1c2nnc(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 C32H30N4OS MW 518.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N4OS/c1-22-14-16-25(17-15-22)35-29(37)27-28(26-13-7-6-12-24(26)20-32(27)18-8-3-9-19-32)36-30(35)33-34-31(36)38-21-23-10-4-2-5-11-23/h2,4-7,10-17H,3,8-9,18-21H2,1H3InChIKey
KJCDAQFQTIOOOE-UHFFFAOYSA-NSynonyms
1(benzylsulfanyl)4(4methylphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1(benzylthio)4(ptolyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC7=CC=CC=C7
InChI=1SC32H30N4OSc122141625(171522)3529(37)2728(2613761224(26)2032(27)188391932)3630(35)333431(36)382123104251123h2471017H3891821H21H3
MFCD01957586
ZINC000001836972
ZINC1836972
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