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Vitas-M small molecule compound

2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide

Catalog ID
STK328872
SMILES CCc1nnc([nH]1)SCC(=O)Nc1ccc(cc1)[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 C12H13N5O3S MW 307.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N5O3S/c1-2-10-14-12(16-15-10)21-7-11(18)13-8-3-5-9(6-4-8)17(19)20/h3-6H,2,7H2,1H3,(H,13,18)(H,14,15,16)
InChIKey
JCTYYPJWZOVBME-UHFFFAOYSA-N
Synonyms
696650-42-7
2((5ETHYL1H124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)ACETAMIDE
2((5ethyl4H124triazol3yl)sulfanyl)N(4nitrophenyl)acetamide
696650427
CCC1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O)
CCc1nnc((nH)1)SCC(=O)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC12H13N5O3Sc12101412(161510)21711(18)138359(648)17(19)20h36H27H21H3(H1318)(H141516)
MFCD02872842
ZINC000018191256
ZINC18191256

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Available files

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

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