Vitas-M small molecule compound
2-methoxy-4-[(E)-(2-{[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl}hydrazinylidene)methyl]phenyl 4-nitrobenzoate
Catalog ID
STK190706
SMILES COc1cc(/C=N/NC(=O)COc2ccc(cc2[N+](=O)[O-])C(CC(C)(C)C)(C)C)ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-]
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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 C31H34N4O9 MW 606.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N4O9/c1-30(2,3)19-31(4,5)22-10-14-25(24(16-22)35(40)41)43-18-28(36)33-32-17-20-7-13-26(27(15-20)42-6)44-29(37)21-8-11-23(12-9-21)34(38)39/h7-17H,18-19H2,1-6H3,(H,33,36)/b32-17+InChIKey
ZEJSOUXNOHFLOH-VTNSRFBWSA-NSynonyms
(2METHOXY4((E)((2(2NITRO4(244TRIMETHYLPENTAN2YL)PHENOXY)ACETYL)HYDRAZINYLIDENE)METHYL)PHENYL)4NITROBENZOATE
2METHOXY4((E)(2((2NITRO4(244TRIMETHYLPENTAN2YL)PHENOXY)ACETYL)HYDRAZINYLIDENE)METHYL)PHENYL4NITROBENZOATE
CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O))OC)(N+)(=O)(O)
COc1cc(C=NNC(=O)COc2ccc(cc2(N+)(=O)(O))C(CC(C)(C)C)(C)C)ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC31H34N4O9c130(23)1931(45)22101425(24(1622)35(40)41)431828(36)3332172071326(27(1520)426)4429(37)2181123(12921)34(38)39h717H1819H216H3(H3336)b3217+
MFCD00570405
ZINC000008445677
ZINC101731785
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.