Vitas-M small molecule compound
2-methoxy-1-{5-[(3-nitrobenzyl)amino]-3-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl}ethanone
Catalog ID
STK246539
SMILES COCC(=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 C16H15N5O4S MW 373.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N5O4S/c1-25-10-14(22)20-16(18-15(19-20)13-6-3-7-26-13)17-9-11-4-2-5-12(8-11)21(23)24/h2-8H,9-10H2,1H3,(H,17,18,19)InChIKey
GNPLJUWCDSANQS-UHFFFAOYSA-NSynonyms
2methoxy1(5((3nitrobenzyl)amino)3(thiophen2yl)1H124triazol1yl)ethanone
2methoxy1(5((3nitrophenyl)methylamino)3thiophen2yl124triazol1yl)ethanone
COCC(=O)N1C(=NC(=N1)C2=CC=CS2)NCC3=CC(=CC=C3)(N+)(=O)(O)
COCC(=O)n1nc(nc1NCc1cccc(c1)(N+)(=O)(O))c1cccs1
InChI=1SC16H15N5O4Sc1251014(22)2016(1815(1920)136372613)1791142512(811)21(23)24h28H910H21H3(H171819)
MFCD08685155
ZINC000009667656
ZINC09667656
ZINC9667656
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