Vitas-M small molecule compound

ethyl 3-oxo-4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate

Catalog ID
STK252297
SMILES CCOC(=O)CC(=O)CSc1nnc2c(n1)[nH]c1c2cccc1

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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 C15H14N4O3S MW 330.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N4O3S/c1-2-22-12(21)7-9(20)8-23-15-17-14-13(18-19-15)10-5-3-4-6-11(10)16-14/h3-6H,2,7-8H2,1H3,(H,16,17,19)
InChIKey
UUZWYCOJNRRIAP-UHFFFAOYSA-N
Synonyms
333787-60-3
333787603
3KETO4(5H(124)TRIAZIN(56B)INDOL3YLTHIO)BUTYRICACIDETHYLESTER
3OXO4(5H(124)TRIAZINO(56B)INDOL3YLSULFANYL)BUTYRICACIDETHYLESTER
3OXO4(5H(124)TRIAZINO(56B)INDOL3YLTHIO)BUTANOICACIDETHYLESTER
CCOC(=O)CC(=O)CSC1=NC2=C(C3=CC=CC=C3N2)N=N1
CCOC(=O)CC(=O)CSc1nnc2c(n1)(nH)c1c2cccc1
ETHYL3OXIDANYLIDENE4(5H(124)TRIAZINO(56B)INDOL3YLSULFANYL)BUTANOATE
ETHYL3OXO4(124TRIAZINO(56B)INDOL3YLTHIO)BUTANOATE
ethyl3oxo4(5H(124)triazino(56b)indol3ylsulfanyl)butanoate
InChI=1SC15H14N4O3Sc122212(21)79(20)82315171413(181915)10534611(10)1614h36H278H21H3(H161719)
MFCD02573075
ZINC000018039861
ZINC18039861

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Available files

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