Vitas-M small molecule compound

3-[(Z)-{2-[(7-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]hydrazinylidene}methyl]phenyl 2-chlorobenzoate

Catalog ID
STK053456
SMILES O=C(C1COc2c(O1)cc(cc2)C(C)(C)C)N/N=C\c1cccc(c1)OC(=O)c1ccccc1Cl

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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 C27H25ClN2O5 MW 492.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O5/c1-27(2,3)18-11-12-22-23(14-18)35-24(16-33-22)25(31)30-29-15-17-7-6-8-19(13-17)34-26(32)20-9-4-5-10-21(20)28/h4-15,24H,16H2,1-3H3,(H,30,31)/b29-15-
InChIKey
LATXTMYUKODGOA-FDVSRXAVSA-N
Synonyms

(3((Z)((6TERTBUTYL23DIHYDRO14BENZODIOXINE3CARBONYL)HYDRAZINYLIDENE)METHYL)PHENYL)2CHLOROBENZOATE
3((Z)(2((7TERTBUTYL23DIHYDRO14BENZODIOXIN2YL)CARBONYL)HYDRAZINYLIDENE)METHYL)PHENYL2CHLOROBENZOATE
CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NN=CC3=CC(=CC=C3)OC(=O)C4=CC=CC=C4Cl
InChI=1SC27H25ClN2O5c127(23)1811122223(1418)3524(163322)25(31)3029151776819(1317)3426(32)209451021(20)28h41524H16H213H3(H3031)b2915
MFCD09960032
O=C(C1COc2c(O1)cc(cc2)C(C)(C)C)NN=Cc1cccc(c1)OC(=O)c1ccccc1Cl
STK053456
ZINC000030696704
ZINC000030696710

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.