Vitas-M small molecule compound
2-(4-methoxyphenyl)-1-{5-[(3-nitrobenzyl)amino]-3-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl}ethanone
Catalog ID
STK246540
SMILES COc1ccc(cc1)CC(=O)n1nc(nc1NCc1cccc(c1)[N+](=O)[O-])c1cccs1
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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 C22H19N5O4S MW 449.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O4S/c1-31-18-9-7-15(8-10-18)13-20(28)26-22(24-21(25-26)19-6-3-11-32-19)23-14-16-4-2-5-17(12-16)27(29)30/h2-12H,13-14H2,1H3,(H,23,24,25)InChIKey
SSUCABPYUDBPHO-UHFFFAOYSA-NSynonyms
2(4methoxyphenyl)1(5((3nitrobenzyl)amino)3(thiophen2yl)1H124triazol1yl)ethanone
2(4methoxyphenyl)1(5((3nitrophenyl)methylamino)3thiophen2yl124triazol1yl)ethanone
COC1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CC=CS3)NCC4=CC(=CC=C4)(N+)(=O)(O)
COc1ccc(cc1)CC(=O)n1nc(nc1NCc1cccc(c1)(N+)(=O)(O))c1cccs1
InChI=1SC22H19N5O4Sc131189715(81018)1320(28)2622(2421(2526)1963113219)23141642517(1216)27(29)30h212H1314H21H3(H232425)
MFCD08685156
ZINC000009667657
ZINC09667657
ZINC9667657
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