Vitas-M small molecule compound
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide
Catalog ID
STL445329
SMILES COc1cc(ccc1NC(=O)CSc1nnc([nH]1)CC)[N+](=O)[O-]
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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 C13H15N5O4S MW 337.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N5O4S/c1-3-11-15-13(17-16-11)23-7-12(19)14-9-5-4-8(18(20)21)6-10(9)22-2/h4-6H,3,7H2,1-2H3,(H,14,19)(H,15,16,17)InChIKey
AIHLYRMQTXVIFH-UHFFFAOYSA-NSynonyms
2((5ETHYL1H124TRIAZOL3YL)SULFANYL)N(2METHOXY4NITROPHENYL)ACETAMIDE
2((5ethyl4H124triazol3yl)sulfanyl)N(2methoxy4nitrophenyl)acetamide
CCC1=NC(=NN1)SCC(=O)NC2=C(C=C(C=C2)(N+)(=O)(O))OC
COc1cc(ccc1NC(=O)CSc1nnc((nH)1)CC)(N+)(=O)(O)
InChI=1SC13H15N5O4Sc13111513(171611)23712(19)149548(18(20)21)610(9)222h46H37H212H3(H1419)(H151617)
MFCD05842266
ZINC000004867498
ZINC04867498
ZINC4867498
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