Vitas-M small molecule compound

ethyl ({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)carbamate

Catalog ID
STL477702
SMILES CCOC(=O)NC(=O)CSc1nnc2c(n1)n(CC=C)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 C17H17N5O3S MW 371.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O3S/c1-3-9-22-12-8-6-5-7-11(12)14-15(22)19-16(21-20-14)26-10-13(23)18-17(24)25-4-2/h3,5-8H,1,4,9-10H2,2H3,(H,18,23,24)
InChIKey
MRORXPGXOOLRJM-UHFFFAOYSA-N
Synonyms

CCOC(=O)NC(=O)CSC1=NC2=C(C3=CC=CC=C3N2CC=C)N=N1
ethyl(((5(prop2en1yl)5H(124)triazino(56b)indol3yl)sulfanyl)acetyl)carbamate
ethylN(2((5prop2enyl(124)triazino(56b)indol3yl)sulfanyl)acetyl)carbamate
InChI=1SC17H17N5O3Sc1392212865711(12)1415(22)1916(212014)261013(23)1817(24)2542h358H14910H22H3(H182324)
MFCD30502775
ZINC000334160804

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Available files

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