Vitas-M small molecule compound

N-(5-nitro-1,3-thiazol-2-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Catalog ID
STK697431
SMILES O=C(Nc1ncc(s1)[N+](=O)[O-])CSc1nnc([nH]1)c1ccccc1

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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 C13H10N6O3S2 MW 362.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10N6O3S2/c20-9(15-12-14-6-10(24-12)19(21)22)7-23-13-16-11(17-18-13)8-4-2-1-3-5-8/h1-6H,7H2,(H,14,15,20)(H,16,17,18)
InChIKey
QFQSSZDCDSJDPC-UHFFFAOYSA-N
Synonyms
951936-08-6
C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=NC=C(S3)(N+)(=O)(O)
N(5nitro13thiazol2yl)2((5phenyl1H124triazol3yl)sulfanyl)acetamide
N(5nitro13thiazol2yl)2((5phenyl4H124triazol3yl)sulfanyl)acetamide
N(5nitrothiazol2yl)2((5phenyl4H124triazol3yl)thio)acetamide
O=C(Nc1ncc(s1)(N+)(=O)(O))CSc1nnc((nH)1)c1ccccc1
Registry IDs
MFCD09156412
ZINC000010231582
ZINC10231582

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Available files

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