Vitas-M small molecule compound
4-[(Z)-{2-[(7-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]hydrazinylidene}methyl]phenyl 4-tert-butylbenzoate
Catalog ID
STK034211
SMILES O=C(C1COc2c(O1)cc(cc2)C(C)(C)C)N/N=C\c1ccc(cc1)OC(=O)c1ccc(cc1)C(C)(C)C
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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 C31H34N2O5 MW 514.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O5/c1-30(2,3)22-11-9-21(10-12-22)29(35)37-24-14-7-20(8-15-24)18-32-33-28(34)27-19-36-25-16-13-23(31(4,5)6)17-26(25)38-27/h7-18,27H,19H2,1-6H3,(H,33,34)/b32-18-InChIKey
YLHPBKIJKDVEOL-CAQPMQTCSA-NSynonyms
(4((Z)((6TERTBUTYL23DIHYDRO14BENZODIOXINE3CARBONYL)HYDRAZINYLIDENE)METHYL)PHENYL)4TERTBUTYLBENZOATE
4((Z)(2((7TERTBUTYL23DIHYDRO14BENZODIOXIN2YL)CARBONYL)HYDRAZINYLIDENE)METHYL)PHENYL4TERTBUTYLBENZOATE
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3COC4=C(O3)C=C(C=C4)C(C)(C)C
InChI=1SC31H34N2O5c130(23)2211921(101222)29(35)372414720(81524)18323328(34)27193625161323(31(45)6)1726(25)3827h71827H19H216H3(H3334)b3218
MFCD02314959
O=C(C1COc2c(O1)cc(cc2)C(C)(C)C)NN=Cc1ccc(cc1)OC(=O)c1ccc(cc1)C(C)(C)C
STK034211
ZINC000030904683
ZINC000030904686
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