Vitas-M small molecule compound

Catalog ID
STL052572
SMILES CCC([C@@H](C(=O)N/N=C/c1ccc2c(c1)nccn2)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 C20H27N5O3 MW 385.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N5O3/c1-6-13(2)17(24-19(27)28-20(3,4)5)18(26)25-23-12-14-7-8-15-16(11-14)22-10-9-21-15/h7-13,17H,6H2,1-5H3,(H,24,27)(H,25,26)/b23-12+/t13?,17-/m0/s1
InChIKey
CNSXYVDDKPXKOM-NOTBOPBSSA-N
Synonyms
1173672-46-2
((S)2METHYL1(1QUINOXALIN6YLMETH(E)YLIDENEHYDRAZINOCARBONYL)BUTYL)CARBAMICACIDTERTBUTYLESTER
1173672462
CCC((C@@H)(C(=O)NN=Cc1ccc2c(c1)nccn2)NC(=O)OC(C)(C)C)C
CCC(C)C(C(=O)NN=CC1=CC2=NC=CN=C2C=C1)NC(=O)OC(C)(C)C
InChI=1SC20H27N5O3c1613(2)17(2419(27)2820(34)5)18(26)25231214781516(1114)221092115h71317H6H215H3(H2427)(H2526)b2312+t13?17m0s1
MFCD04026779
tertbutyl((2S3S)3methyl1oxo1((E)2(quinoxalin6ylmethylene)hydrazinyl)pentan2yl)carbamate
tertbutylN((2S)3methyl1oxo1((2E)2(quinoxalin6ylmethylidene)hydrazinyl)pentan2yl)carbamate
ZINC000002377012
ZINC000006357698

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Available files

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