Vitas-M small molecule compound
4-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzaldehyde
Catalog ID
STL445359
SMILES CCc1nnc([nH]1)Sc1ccc(cc1[N+](=O)[O-])C=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 C11H10N4O3S MW 278.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H10N4O3S/c1-2-10-12-11(14-13-10)19-9-4-3-7(6-16)5-8(9)15(17)18/h3-6H,2H2,1H3,(H,12,13,14)InChIKey
GDTBLCMZOHQFHD-UHFFFAOYSA-NSynonyms
4((5ETHYL1H124TRIAZOL3YL)SULFANYL)3NITROBENZALDEHYDE
4((5ethyl4H124triazol3yl)sulfanyl)3nitrobenzaldehyde
CCC1=NC(=NN1)SC2=C(C=C(C=C2)C=O)(N+)(=O)(O)
CCc1nnc((nH)1)Sc1ccc(cc1(N+)(=O)(O))C=O
InChI=1SC11H10N4O3Sc12101211(141310)199437(616)58(9)15(17)18h36H2H21H3(H121314)
MFCD05842897
ZINC000004811073
ZINC04811073
ZINC4811073
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