Vitas-M small molecule compound
3-{5-[(2,4-dinitrophenyl)sulfanyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}pyridine
Catalog ID
STK729253
SMILES [O-][N+](=O)c1cc(ccc1Sc1nnc(n1Cc1ccco1)c1cccnc1)[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 C18H12N6O5S MW 424.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N6O5S/c25-23(26)13-5-6-16(15(9-13)24(27)28)30-18-21-20-17(12-3-1-7-19-10-12)22(18)11-14-4-2-8-29-14/h1-10H,11H2InChIKey
KMFYJCVJERLCNZ-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(ccc1Sc1nnc(n1Cc1ccco1)c1cccnc1)(N+)(=O)(O)
3(5((24dinitrophenyl)sulfanyl)4(furan2ylmethyl)4H124triazol3yl)pyridine
3(5((24dinitrophenyl)thio)4(furan2ylmethyl)4H124triazol3yl)pyridine
3(5(24DINITROPHENYL)SULFANYL4(FURAN2YLMETHYL)124TRIAZOL3YL)PYRIDINE
C1=CC(=CN=C1)C2=NN=C(N2CC3=CC=CO3)SC4=C(C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H12N6O5Sc2523(26)135616(15(913)24(27)28)3018212017(12317191012)22(18)11144282914h110H11H2
MFCD02990312
ZINC000001831936
ZINC01831936
ZINC1831936
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