Vitas-M small molecule compound
(2E)-2-[(2E)-(4-chlorobenzylidene)hydrazinylidene]-3-(2-methylphenyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STL149898
SMILES Clc1ccc(cc1)/C=N/N=c/1\[nH]c2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)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 C31H29ClN4O MW 509.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29ClN4O/c1-21-9-3-6-12-26(21)36-29(37)27-28(34-30(36)35-33-20-22-13-15-24(32)16-14-22)25-11-5-4-10-23(25)19-31(27)17-7-2-8-18-31/h3-6,9-16,20H,2,7-8,17-19H2,1H3,(H,34,35)/b33-20+InChIKey
LTDRTCJFASTKID-FMFFXOCNSA-NSynonyms
(2E)2((2E)(4chlorobenzylidene)hydrazinylidene)3(2methylphenyl)23dihydro1Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2E)2((4CHLOROPHENYL)METHYLIDENE)HYDRAZINYL)3(2METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2NN=CC6=CC=C(C=C6)Cl
Clc1ccc(cc1)C=NN=c1(nH)c2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3
InChI=1SC31H29ClN4Oc1219361226(21)3629(37)2728(3430(36)35332022131524(32)161422)2511541023(25)1931(27)177281831h3691620H2781719H21H3(H3435)b3320+
MFCD03812132
ZINC33345008
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