Vitas-M small molecule compound
4-[(Z)-(2-{[2-(4-tert-butylphenyl)cyclopropyl]carbonyl}hydrazinylidene)methyl]phenyl 3-methyl-4-nitrobenzoate
Catalog ID
STK379578
SMILES O=C(C1CC1c1ccc(cc1)C(C)(C)C)N/N=C\c1ccc(cc1)OC(=O)c1ccc(c(c1)C)[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 C29H29N3O5 MW 499.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O5/c1-18-15-21(9-14-26(18)32(35)36)28(34)37-23-12-5-19(6-13-23)17-30-31-27(33)25-16-24(25)20-7-10-22(11-8-20)29(2,3)4/h5-15,17,24-25H,16H2,1-4H3,(H,31,33)/b30-17-InChIKey
ZJLJIUJLFZGTMJ-LQNQUEJISA-NSynonyms
(4((Z)((2(4TERTBUTYLPHENYL)CYCLOPROPANECARBONYL)HYDRAZINYLIDENE)METHYL)PHENYL)3METHYL4NITROBENZOATE
4((1Z)2((2(4(TERTBUTYL)PHENYL)CYCLOPROPYL)CARBONYLAMINO)2AZAVINYL)PHENYL3METHYL4NITROBENZOATE
4((Z)(2((2(4tertbutylphenyl)cyclopropyl)carbonyl)hydrazinylidene)methyl)phenyl3methyl4nitrobenzoate
CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3CC3C4=CC=C(C=C4)C(C)(C)C)(N+)(=O)(O)
InChI=1SC29H29N3O5c1181521(91426(18)32(35)36)28(34)372312519(61323)17303127(33)251624(25)2071022(11820)29(23)4h515172425H16H214H3(H3133)b3017
MFCD02068022
O=C(C1CC1c1ccc(cc1)C(C)(C)C)NN=Cc1ccc(cc1)OC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
ZINC000030738590
ZINC000030738602
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.