Vitas-M small molecule compound
5-(furan-2-yl)-4-{[(E)-(2-nitrophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL045341
SMILES S=c1[nH]nc(n1/N=C/c1ccccc1[N+](=O)[O-])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 C13H9N5O3S MW 315.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9N5O3S/c19-18(20)10-5-2-1-4-9(10)8-14-17-12(15-16-13(17)22)11-6-3-7-21-11/h1-8H,(H,16,22)/b14-8+InChIKey
XUDLIWKBFUXJLH-RIYZIHGNSA-NSynonyms
183536-39-2183536392
3(FURAN2YL)4((E)(2NITROPHENYL)METHYLIDENEAMINO)1H124TRIAZOLE5THIONE
4((1E)2(2NITROPHENYL)1AZAVINYL)5(2FURYL)124TRIAZOLE3THIOL
5(furan2yl)4(((E)(2nitrophenyl)methylidene)amino)24dihydro3H124triazole3thione
C1=CC=C(C(=C1)C=NN2C(=NNC2=S)C3=CC=CO3)(N+)(=O)(O)
InChI=1SC13H9N5O3Sc1918(20)1052149(10)8141712(151613(17)22)116372111h18H(H1622)b148+
MFCD03797399
S=c1(nH)nc(n1N=Cc1ccccc1(N+)(=O)(O))c1ccco1
ZINC000004901110
ZINC02234356
ZINC2234356
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