Vitas-M small molecule compound

Catalog ID
STK586707
SMILES CCC([C@@H](C(=O)N/N=C/c1ccc2c(n1)ccc(c2)OC)NC(=O)OC(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 C22H30N4O4 MW 414.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O4/c1-7-14(2)19(25-21(28)30-22(3,4)5)20(27)26-23-13-16-9-8-15-12-17(29-6)10-11-18(15)24-16/h8-14,19H,7H2,1-6H3,(H,25,28)(H,26,27)/b23-13+/t14?,19-/m0/s1
InChIKey
PDXALICVMRVRIB-HJKLDDSWSA-N
Synonyms
1173666-00-6
((S)1(1(6METHOXYQUINOLIN2YL)METH(E)YLIDENEHYDRAZINOCARBONYL)2METHYLBUTYL)CARBAMICACIDTERTBUTYLESTER
1173666006
CCC((C@@H)(C(=O)NN=Cc1ccc2c(n1)ccc(c2)OC)NC(=O)OC(C)(C)C)C
CCC(C)C(C(=O)NN=CC1=NC2=C(C=C1)C=C(C=C2)OC)NC(=O)OC(C)(C)C
InChI=1SC22H30N4O4c1714(2)19(2521(28)3022(34)5)20(27)2623131698151217(296)101118(15)2416h81419H7H216H3(H2528)(H2627)b2313+t14?19m0s1
MFCD04012802
tertbutyl((2S3R)1((E)2((6methoxyquinolin2yl)methylene)hydrazinyl)3methyl1oxopentan2yl)carbamate
tertbutylN((2S)1((2E)2((6methoxyquinolin2yl)methylidene)hydrazinyl)3methyl1oxopentan2yl)carbamate
ZINC000015974273
ZINC000015974274

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Available files

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