Vitas-M small molecule compound

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

Catalog ID
STK524773
SMILES COc1ccccc1n1c2nnc(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/c1-39-26-12-6-5-11-25(26)36-29(38)27-28(24-10-4-3-9-22(24)19-32(27)17-7-2-8-18-32)37-30(36)34-35-31(37)40-20-21-13-15-23(33)16-14-21/h3-6,9-16H,2,7-8,17-20H2,1H3
InChIKey
YZCIHJQWWABTTP-UHFFFAOYSA-N
Synonyms

1((4bromobenzyl)sulfanyl)4(2methoxyphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1((4bromobenzyl)thio)4(2methoxyphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC7=CC=C(C=C7)Br
InChI=1SC32H29BrN4O2Sc1392612651125(26)3629(38)2728(241043922(24)1932(27)177281832)3730(36)343531(37)402021131523(33)161421h36916H2781720H21H3
MFCD01956701
ZINC000102400164
ZINC102400164

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Available files

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