Vitas-M small molecule compound
2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitrobenzaldehyde
Catalog ID
STL375775
SMILES O=Cc1cc(ccc1Sc1nnc(n1CC)c1cccc(c1)Cl)[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 C17H13ClN4O3S MW 388.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN4O3S/c1-2-21-16(11-4-3-5-13(18)8-11)19-20-17(21)26-15-7-6-14(22(24)25)9-12(15)10-23/h3-10H,2H2,1H3InChIKey
QHKPMWAKKDXAJW-UHFFFAOYSA-NSynonyms
2((5(3CHLOROPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)5NITROBENZALDEHYDE
2((5(3chlorophenyl)4ethyl4H124triazol3yl)sulfanyl)5nitrobenzaldehyde
CCN1C(=NN=C1SC2=C(C=C(C=C2)(N+)(=O)(O))C=O)C3=CC(=CC=C3)Cl
InChI=1SC17H13ClN4O3Sc122116(1143513(18)811)192017(21)26157614(22(24)25)912(15)1023h310H2H21H3
MFCD03997485
O=Cc1cc(ccc1Sc1nnc(n1CC)c1cccc(c1)Cl)(N+)(=O)(O)
ZINC000001141506
ZINC01141506
ZINC1141506
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