Vitas-M small molecule compound
4-[(Z)-(2-{[2-(4-tert-butylphenyl)cyclopropyl]carbonyl}hydrazinylidene)methyl]phenyl 1,3-benzodioxole-5-carboxylate
Catalog ID
STK379478
SMILES O=C(C1CC1c1ccc(cc1)C(C)(C)C)N/N=C\c1ccc(cc1)OC(=O)c1ccc2c(c1)OCO2
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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 C29H28N2O5 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O5/c1-29(2,3)21-9-6-19(7-10-21)23-15-24(23)27(32)31-30-16-18-4-11-22(12-5-18)36-28(33)20-8-13-25-26(14-20)35-17-34-25/h4-14,16,23-24H,15,17H2,1-3H3,(H,31,32)/b30-16-InChIKey
JJDFFVSWPGTKHO-UHBFCERESA-NSynonyms
(4((Z)((2(4TERTBUTYLPHENYL)CYCLOPROPANECARBONYL)HYDRAZINYLIDENE)METHYL)PHENYL)13BENZODIOXOLE5CARBOXYLATE
4((1Z)2((2(4(TERTBUTYL)PHENYL)CYCLOPROPYL)CARBONYLAMINO)2AZAVINYL)PHENYL2HBENZO(34D)13DIOXOLANE5CARBOXYLATE
4((Z)(2((2(4tertbutylphenyl)cyclopropyl)carbonyl)hydrazinylidene)methyl)phenyl13benzodioxole5carboxylate
CC(C)(C)C1=CC=C(C=C1)C2CC2C(=O)NN=CC3=CC=C(C=C3)OC(=O)C4=CC5=C(C=C4)OCO5
InChI=1SC29H28N2O5c129(23)219619(71021)231524(23)27(32)3130161841122(12518)3628(33)208132526(1420)35173425h414162324H1517H213H3(H3132)b3016
MFCD01020546
O=C(C1CC1c1ccc(cc1)C(C)(C)C)NN=Cc1ccc(cc1)OC(=O)c1ccc2c(c1)OCO2
ZINC000030738542
ZINC000030738553
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.