Vitas-M small molecule compound
(2E)-2-[(2E)-(4-bromobenzylidene)hydrazinylidene]-3-(4-methoxyphenyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK559916
SMILES COc1ccc(cc1)n1/c(=N/N=C/c2ccc(cc2)Br)/[nH]c2c(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 C31H29BrN4O2 MW 569.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29BrN4O2/c1-38-25-15-13-24(14-16-25)36-29(37)27-28(34-30(36)35-33-20-21-9-11-23(32)12-10-21)26-8-4-3-7-22(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
ZSKYMTVBXZJVED-FMFFXOCNSA-NSynonyms
(2E)2((2E)(4bromobenzylidene)hydrazinylidene)3(4methoxyphenyl)23dihydro1Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2E)2((4BROMOPHENYL)METHYLIDENE)HYDRAZINYL)3(4METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2NN=CC6=CC=C(C=C6)Br
COc1ccc(cc1)n1c(=NN=Cc2ccc(cc2)Br)(nH)c2c(c1=O)C1(CCCCC1)Cc1c2cccc1
InChI=1SC31H29BrN4O2c13825151324(141625)3629(37)2728(3430(36)3533202191123(32)121021)26843722(26)1931(27)175261831h3471620H2561719H21H3(H3435)b3320+
MFCD03814233
ZINC000001824925
ZINC102491487
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