Vitas-M small molecule compound
2-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-3-(2-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK568719
SMILES COc1ccccc1n1c(N/N=C/c2ccc(cc2)Br)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 C31H29BrN4O2 MW 569.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29BrN4O2/c1-38-26-12-6-5-11-25(26)36-29(37)27-28(34-30(36)35-33-20-21-13-15-23(32)16-14-21)24-10-4-3-9-22(24)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
APBPLAWCBKIJOM-FMFFXOCNSA-NSynonyms
(E)2(2(4bromobenzylidene)hydrazinyl)3(2methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2E)2((4BROMOPHENYL)METHYLIDENE)HYDRAZINYL)3(2METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
2((2E)2(4bromobenzylidene)hydrazinyl)3(2methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2NN=CC6=CC=C(C=C6)Br
COc1ccccc1n1c(NN=Cc2ccc(cc2)Br)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
InChI=1SC31H29BrN4O2c1382612651125(26)3629(37)2728(3430(36)35332021131523(32)161421)241043922(24)1931(27)177281831h3691620H2781719H21H3(H3435)b3320+
MFCD02236636
ZINC000001814026
ZINC102553891
Check stock
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Check stock on Vitas-MAvailable files
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