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Vitas-M small molecule compound

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

Catalog ID
STK328868
SMILES O=C(Nc1ccc(cc1)[N+](=O)[O-])CSc1nnc([nH]1)C

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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 C11H11N5O3S MW 293.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11N5O3S/c1-7-12-11(15-14-7)20-6-10(17)13-8-2-4-9(5-3-8)16(18)19/h2-5H,6H2,1H3,(H,13,17)(H,12,14,15)
InChIKey
MYDZRLWTEHOSAF-UHFFFAOYSA-N
Synonyms
696647-63-9
2((5METHYL1H124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)ACETAMIDE
2((5methyl4H124triazol3yl)sulfanyl)N(4nitrophenyl)acetamide
696647639
CC1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC11H11N5O3Sc171211(15147)20610(17)138249(538)16(18)19h25H6H21H3(H1317)(H121415)
MFCD02872783
O=C(Nc1ccc(cc1)(N+)(=O)(O))CSc1nnc((nH)1)C
ZINC000005677456
ZINC05677456
ZINC5677456

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Available files

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

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