Vitas-M small molecule compound

4-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrobenzaldehyde

Catalog ID
STL417473
SMILES O=Cc1ccc(c(c1)[N+](=O)[O-])Sc1nnc([nH]1)c1ccc(cc1)Cl

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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 C15H9ClN4O3S MW 360.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H9ClN4O3S/c16-11-4-2-10(3-5-11)14-17-15(19-18-14)24-13-6-1-9(8-21)7-12(13)20(22)23/h1-8H,(H,17,18,19)
InChIKey
QSSNMTVVVQTZIJ-UHFFFAOYSA-N
Synonyms

4((5(4CHLOROPHENYL)1H124TRIAZOL3YL)SULFANYL)3NITROBENZALDEHYDE
4((5(4chlorophenyl)4H124triazol3yl)sulfanyl)3nitrobenzaldehyde
C1=CC(=CC=C1C2=NC(=NN2)SC3=C(C=C(C=C3)C=O)(N+)(=O)(O))Cl
InChI=1SC15H9ClN4O3Sc16114210(3511)141715(191814)2413619(821)712(13)20(22)23h18H(H171819)
MFCD05811655
O=Cc1ccc(c(c1)(N+)(=O)(O))Sc1nnc((nH)1)c1ccc(cc1)Cl
ZINC000005635517
ZINC05635517
ZINC5635517

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Available files

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