Vitas-M small molecule compound

tert-butyl {1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-4-(methylsulfanyl)-1-oxobutan-2-yl}carbamate (non-preferred name)

Catalog ID
STL341400
SMILES CSCCC(C(=O)N/N=C/C1=Cc2c(OC1)cccc2)NC(=O)OC(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 C20H27N3O4S MW 405.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O4S/c1-20(2,3)27-19(25)22-16(9-10-28-4)18(24)23-21-12-14-11-15-7-5-6-8-17(15)26-13-14/h5-8,11-12,16H,9-10,13H2,1-4H3,(H,22,25)(H,23,24)/b21-12+
InChIKey
SMNMZAJDIVGLFP-CIAFOILYSA-N
Synonyms

(SE)tertbutyl(1(2((2Hchromen3yl)methylene)hydrazinyl)4(methylthio)1oxobutan2yl)carbamate
CC(C)(C)OC(=O)NC(CCSC)C(=O)NN=CC1=CC2=CC=CC=C2OC1
CSCC(C@@H)(C(=O)NN=CC1=Cc2c(OC1)cccc2)NC(=O)OC(C)(C)C
CSCCC(C(=O)NN=CC1=Cc2c(OC1)cccc2)NC(=O)OC(C)(C)C
InChI=1SC20H27N3O4Sc120(23)2719(25)2216(910284)18(24)232112141115756817(15)261314h58111216H91013H214H3(H2225)(H2324)b2112+
MFCD28032109
tertbutyl(1((2E)2(2Hchromen3ylmethylidene)hydrazinyl)4(methylsulfanyl)1oxobutan2yl)carbamate(nonpreferredname)
tertbutylN(1((2E)2(2Hchromen3ylmethylidene)hydrazinyl)4methylsulfanyl1oxobutan2yl)carbamate
ZINC000002378821
ZINC000015987167

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Available files

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