Vitas-M small molecule compound
2-[(2E)-2-benzylidenehydrazinyl]-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK532617
SMILES COc1cccc(c1)n1c(N/N=C/c2ccccc2)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 C31H30N4O2 MW 490.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O2/c1-37-25-15-10-14-24(19-25)35-29(36)27-28(33-30(35)34-32-21-22-11-4-2-5-12-22)26-16-7-6-13-23(26)20-31(27)17-8-3-9-18-31/h2,4-7,10-16,19,21H,3,8-9,17-18,20H2,1H3,(H,33,34)/b32-21+InChIKey
WDOCJPZVAHKCHO-RUMWWMSVSA-NSynonyms
(E)2(2benzylidenehydrazinyl)3(3methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2E)2benzylidenehydrazinyl)3(3methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2E)2BENZYLIDENEHYDRAZINYL)3(3METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2NN=CC6=CC=CC=C6
COc1cccc(c1)n1c(NN=Cc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
InChI=1SC31H30N4O2c1372515101424(1925)3529(36)2728(3330(35)34322122114251222)2616761323(26)2031(27)178391831h24710161921H389171820H21H3(H3334)b3221+
MFCD02994660
ZINC000013809885
ZINC102411247
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