Vitas-M small molecule compound
(2E)-2-[(2E)-(4-methoxybenzylidene)hydrazinylidene]-3-(3-methoxyphenyl)-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK560388
SMILES COc1ccc(cc1)/C=N/N=c/1\[nH]c2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)OC)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 C32H32N4O3 MW 520.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N4O3/c1-38-25-15-13-22(14-16-25)21-33-35-31-34-29-27-12-5-4-9-23(27)20-32(17-6-3-7-18-32)28(29)30(37)36(31)24-10-8-11-26(19-24)39-2/h4-5,8-16,19,21H,3,6-7,17-18,20H2,1-2H3,(H,34,35)/b33-21+InChIKey
DVSRTSNCUKLDCU-QNKGDIEWSA-NSynonyms
(2E)2((2E)(4methoxybenzylidene)hydrazinylidene)3(3methoxyphenyl)23dihydro1Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3METHOXYPHENYL)2((2E)2((4METHOXYPHENYL)METHYLIDENE)HYDRAZINYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
COC1=CC=C(C=C1)C=NNC2=NC3=C(C(=O)N2C4=CC(=CC=C4)OC)C5(CCCCC5)CC6=CC=CC=C63
COc1ccc(cc1)C=NN=c1(nH)c2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)OC)CCCCC3
InChI=1SC32H32N4O3c13825151322(141625)213335313429271254923(27)2032(176371832)28(29)30(37)36(31)241081126(1924)392h458161921H367171820H212H3(H3435)b3321+
MFCD03796974
ZINC000013810381
ZINC33374449
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