Vitas-M small molecule compound

2-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK698881
SMILES Cc1ccc(cc1)n1c(N/N=C/c2ccc(cc2)Br)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

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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 C31H29BrN4O MW 553.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29BrN4O/c1-21-9-15-25(16-10-21)36-29(37)27-28(34-30(36)35-33-20-22-11-13-24(32)14-12-22)26-8-4-3-7-23(26)19-31(27)17-5-2-6-18-31/h3-4,7-16,20H,2,5-6,17-19H2,1H3,(H,34,35)/b33-20+
InChIKey
FJNFZXASDFLVQM-FMFFXOCNSA-N
Synonyms

(E)2(2(4bromobenzylidene)hydrazinyl)3(ptolyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2E)2((4bromophenyl)methylidene)hydrazinyl)3(4methylphenyl)spiro(6Hbenzo(h)quinazoline51cyclohexane)4one
2((2E)2(4bromobenzylidene)hydrazinyl)3(4methylphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2NN=CC6=CC=C(C=C6)Br
Cc1ccc(cc1)n1c(NN=Cc2ccc(cc2)Br)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
InChI=1SC31H29BrN4Oc12191525(161021)3629(37)2728(3430(36)35332022111324(32)141222)26843723(26)1931(27)175261831h3471620H2561719H21H3(H3435)b3320+
MFCD01875286
ZINC000097968502
ZINC102632216

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Available files

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