Vitas-M small molecule compound
2-[(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Catalog ID
STL042320
SMILES CCc1nc(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])c2c(n1)c1ccccc1o2
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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 C20H16N4O4S MW 408.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O4S/c1-2-16-22-18-14-5-3-4-6-15(14)28-19(18)20(23-16)29-11-17(25)21-12-7-9-13(10-8-12)24(26)27/h3-10H,2,11H2,1H3,(H,21,25)InChIKey
OYNGMAGKAUGFRT-UHFFFAOYSA-NSynonyms
716331-08-72((2ethyl(1)benzofuro(32d)pyrimidin4yl)sulfanyl)N(4nitrophenyl)acetamide
2((2ethylbenzofuro(32d)pyrimidin4yl)thio)N(4nitrophenyl)acetamide
716331087
CCC1=NC2=C(C(=N1)SCC(=O)NC3=CC=C(C=C3)(N+)(=O)(O))OC4=CC=CC=C42
CCc1nc(SCC(=O)Nc2ccc(cc2)(N+)(=O)(O))c2c(n1)c1ccccc1o2
InChI=1SC20H16N4O4Sc1216221814534615(14)2819(18)20(2316)291117(25)21127913(10812)24(26)27h310H211H21H3(H2125)
MFCD05700262
ZINC000005561326
ZINC05561326
ZINC5561326
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