Vitas-M small molecule compound
4-benzyl-3-[(2,4-dinitrophenyl)sulfanyl]-5-(furan-2-yl)-4H-1,2,4-triazole
Catalog ID
STK729249
SMILES [O-][N+](=O)c1cc(ccc1Sc1nnc(n1Cc1ccccc1)c1ccco1)[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 C19H13N5O5S MW 423.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N5O5S/c25-23(26)14-8-9-17(15(11-14)24(27)28)30-19-21-20-18(16-7-4-10-29-16)22(19)12-13-5-2-1-3-6-13/h1-11H,12H2InChIKey
TZHLKYBLBJQDOP-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(ccc1Sc1nnc(n1Cc1ccccc1)c1ccco1)(N+)(=O)(O)
4benzyl3((24dinitrophenyl)sulfanyl)5(furan2yl)4H124triazole
4benzyl3((24dinitrophenyl)thio)5(furan2yl)4H124triazole
4BENZYL3(24DINITROPHENYL)SULFANYL5(FURAN2YL)124TRIAZOLE
C1=CC=C(C=C1)CN2C(=NN=C2SC3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C4=CC=CO4
InChI=1SC19H13N5O5Sc2523(26)148917(15(1114)24(27)28)3019212018(1674102916)22(19)12135213613h111H12H2
MFCD02990618
ZINC000001829096
ZINC01829096
ZINC1829096
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