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Vitas-M small molecule compound

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

Catalog ID
STK328879
SMILES O=C(Nc1cc(ccc1C)[N+](=O)[O-])CSc1nnc([nH]1)c1ccncc1

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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 C16H14N6O3S MW 370.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N6O3S/c1-10-2-3-12(22(24)25)8-13(10)18-14(23)9-26-16-19-15(20-21-16)11-4-6-17-7-5-11/h2-8H,9H2,1H3,(H,18,23)(H,19,20,21)
InChIKey
XRKLUXOKXNMIMQ-UHFFFAOYSA-N
Synonyms
697239-50-2
697239502
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3
InChI=1SC16H14N6O3Sc1102312(22(24)25)813(10)1814(23)926161915(202116)1146177511h28H9H21H3(H1823)(H192021)
MFCD05856237
N(2methyl5nitrophenyl)2((5(pyridin4yl)4H124triazol3yl)sulfanyl)acetamide
N(2METHYL5NITROPHENYL)2((5PYRIDIN4YL1H124TRIAZOL3YL)SULFANYL)ACETAMIDE
O=C(Nc1cc(ccc1C)(N+)(=O)(O))CSc1nnc((nH)1)c1ccncc1
ZINC000005530899
ZINC05530899
ZINC5530899

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Available files

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