Vitas-M small molecule compound
2-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-3-(2-phenylethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK698886
SMILES COc1ccc(cc1)/C=N/Nc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)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 C33H34N4O2 MW 518.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N4O2/c1-39-27-16-14-25(15-17-27)23-34-36-32-35-30-28-13-7-6-12-26(28)22-33(19-8-3-9-20-33)29(30)31(38)37(32)21-18-24-10-4-2-5-11-24/h2,4-7,10-17,23H,3,8-9,18-22H2,1H3,(H,35,36)/b34-23+InChIKey
KMQWACFVESSKRL-PPFNPFNJSA-NSynonyms
372087-61-1(E)2(2(4methoxybenzylidene)hydrazinyl)3phenethyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2E)2((4methoxyphenyl)methylidene)hydrazinyl)3(2phenylethyl)spiro(6Hbenzo(h)quinazoline51cyclohexane)4one
2((2E)2(4methoxybenzylidene)hydrazinyl)3(2phenylethyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
372087611
COC1=CC=C(C=C1)C=NNC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63
COc1ccc(cc1)C=NNc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3
InChI=1SC33H34N4O2c13927161425(151727)2334363235302813761226(28)2233(198392033)29(30)31(38)37(32)211824104251124h247101723H3891822H21H3(H3536)b3423+
MFCD01877388
ZINC000013764125
ZINC102632235
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