Vitas-M small molecule compound
3-(furan-2-yl)-5-{[(2E)-3-(4-nitrophenyl)prop-2-en-1-yl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Catalog ID
STK733979
SMILES [O-][N+](=O)c1ccc(cc1)/C=C/CSc1nnc(n1c1ccccc1)c1ccco1
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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 C21H16N4O3S MW 404.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O3S/c26-25(27)18-12-10-16(11-13-18)6-5-15-29-21-23-22-20(19-9-4-14-28-19)24(21)17-7-2-1-3-8-17/h1-14H,15H2/b6-5+InChIKey
UVVMDHNBXWEUQX-AATRIKPKSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1)C=CCSc1nnc(n1c1ccccc1)c1ccco1
3(furan2yl)5(((2E)3(4nitrophenyl)prop2en1yl)sulfanyl)4phenyl4H124triazole
3(FURAN2YL)5((E)3(4NITROPHENYL)PROP2ENYL)SULFANYL4PHENYL124TRIAZOLE
C1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CO4
InChI=1SC21H16N4O3Sc2625(27)18121016(111318)65152921232220(1994142819)24(21)177213817h114H15H2b65+
MFCD01427472
ZINC000002990594
ZINC02990594
ZINC2990594
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