Vitas-M small molecule compound
2-{[5-(3,5-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitropyridine
Catalog ID
STL417534
SMILES COc1cc(OC)cc(c1)c1nnc(n1CC)Sc1ccc(cn1)[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 C17H17N5O4S MW 387.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O4S/c1-4-21-16(11-7-13(25-2)9-14(8-11)26-3)19-20-17(21)27-15-6-5-12(10-18-15)22(23)24/h5-10H,4H2,1-3H3InChIKey
GCVGHPHBDKJZMP-UHFFFAOYSA-NSynonyms
2((5(35DIMETHOXYPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)5NITROPYRIDINE
2((5(35dimethoxyphenyl)4ethyl4H124triazol3yl)sulfanyl)5nitropyridine
CCN1C(=NN=C1SC2=NC=C(C=C2)(N+)(=O)(O))C3=CC(=CC(=C3)OC)OC
COc1cc(OC)cc(c1)c1nnc(n1CC)Sc1ccc(cn1)(N+)(=O)(O)
InChI=1SC17H17N5O4Sc142116(11713(252)914(811)263)192017(21)27156512(101815)22(23)24h510H4H213H3
MFCD05815607
ZINC000001049438
ZINC01049438
ZINC1049438
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