Vitas-M small molecule compound
4-[(5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzaldehyde
Catalog ID
STL368404
SMILES O=Cc1ccc(c(c1)[N+](=O)[O-])Sc1nnc([nH]1)Cc1ccccc1
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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 C16H12N4O3S MW 340.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N4O3S/c21-10-12-6-7-14(13(8-12)20(22)23)24-16-17-15(18-19-16)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,17,18,19)InChIKey
IWDWFVMCCMYDLP-UHFFFAOYSA-NSynonyms
4((5BENZYL1H124TRIAZOL3YL)SULFANYL)3NITROBENZALDEHYDE
4((5benzyl4H124triazol3yl)sulfanyl)3nitrobenzaldehyde
C1=CC=C(C=C1)CC2=NC(=NN2)SC3=C(C=C(C=C3)C=O)(N+)(=O)(O)
InChI=1SC16H12N4O3Sc2110126714(13(812)20(22)23)24161715(181916)9114213511h1810H9H2(H171819)
MFCD05842877
O=Cc1ccc(c(c1)(N+)(=O)(O))Sc1nnc((nH)1)Cc1ccccc1
ZINC000005050709
ZINC05050709
ZINC5050709
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