Vitas-M small molecule compound
1-[(4-bromobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK524728
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCc1ccc(cc1)Br
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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 C32H29BrN4O2S MW 613.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29BrN4O2S/c1-39-25-15-13-24(14-16-25)36-29(38)27-28(26-8-4-3-7-22(26)19-32(27)17-5-2-6-18-32)37-30(36)34-35-31(37)40-20-21-9-11-23(33)12-10-21/h3-4,7-16H,2,5-6,17-20H2,1H3InChIKey
ILNSBEFOXQEQTP-UHFFFAOYSA-NSynonyms
1((4bromobenzyl)sulfanyl)4(4methoxyphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1((4bromobenzyl)thio)4(4methoxyphenyl)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=C6SCC7=CC=C(C=C7)Br
InChI=1SC32H29BrN4O2Sc13925151324(141625)3629(38)2728(26843722(26)1932(27)175261832)3730(36)343531(37)40202191123(33)121021h34716H2561720H21H3
MFCD01945361
ZINC000102400104
ZINC102400104
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