Vitas-M small molecule compound
1-[(4-bromobenzyl)sulfanyl]-4-(3-methylphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK525988
SMILES Brc1ccc(cc1)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1cccc(c1)C)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 C32H29BrN4OS MW 597.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29BrN4OS/c1-21-8-7-10-25(18-21)36-29(38)27-28(26-11-4-3-9-23(26)19-32(27)16-5-2-6-17-32)37-30(36)34-35-31(37)39-20-22-12-14-24(33)15-13-22/h3-4,7-15,18H,2,5-6,16-17,19-20H2,1H3InChIKey
FUWPHTPCTVYEIV-UHFFFAOYSA-NSynonyms
1((4bromobenzyl)sulfanyl)4(3methylphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1((4bromobenzyl)thio)4(mtolyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC7=CC=C(C=C7)Br
InChI=1SC32H29BrN4OSc121871025(1821)3629(38)2728(261143923(26)1932(27)165261732)3730(36)343531(37)392022121424(33)151322h3471518H25616171920H21H3
MFCD01954701
ZINC000001849560
ZINC1849560
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