Vitas-M small molecule compound

5-nitro-2-(4H-1,2,4-triazol-3-ylsulfanyl)benzaldehyde

Catalog ID
STK796812
SMILES O=Cc1cc(ccc1Sc1nnc[nH]1)[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 C9H6N4O3S MW 250.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H6N4O3S/c14-4-6-3-7(13(15)16)1-2-8(6)17-9-10-5-11-12-9/h1-5H,(H,10,11,12)
InChIKey
NITPDHDYNXENCH-UHFFFAOYSA-N
Synonyms
887834-06-2
5NITRO2(1H124TRIAZOL5YLSULFANYL)BENZALDEHYDE
5nitro2(4H124triazol3ylsulfanyl)benzaldehyde
887834062
C1=CC(=C(C=C1(N+)(=O)(O))C=O)SC2=NC=NN2
InChI=1SC9H6N4O3Sc144637(13(15)16)128(6)17910511129h15H(H101112)
MFCD05842863
O=Cc1cc(ccc1Sc1nnc(nH)1)(N+)(=O)(O)
ZINC000000586700
ZINC00586700
ZINC586700

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Available files

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