Vitas-M small molecule compound
5-(4-methylphenyl)-4-({(E)-[5-(3-nitrophenyl)furan-2-yl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK508954
SMILES Cc1ccc(cc1)c1nnc(n1/N=C/c1ccc(o1)c1cccc(c1)[N+](=O)[O-])S
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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 C20H15N5O3S MW 405.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N5O3S/c1-13-5-7-14(8-6-13)19-22-23-20(29)24(19)21-12-17-9-10-18(28-17)15-3-2-4-16(11-15)25(26)27/h2-12H,1H3,(H,23,29)/b21-12+InChIKey
WYKJCRMWLFNOAX-CIAFOILYSA-NSynonyms
3(4methylphenyl)4((E)(5(3nitrophenyl)furan2yl)methylideneamino)1H124triazole5thione
4(((5(3NITROPHENYL)2FURYL)METHYLENE)AMINO)3(4METHYLPHENYL)5SULFANYL4H124TRIAZOLE
5(4methylphenyl)4(((E)(5(3nitrophenyl)furan2yl)methylidene)amino)4H124triazole3thiol
CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=C(O3)C4=CC(=CC=C4)(N+)(=O)(O)
Cc1ccc(cc1)c1nnc(n1N=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))S
InChI=1SC20H15N5O3Sc1135714(8613)19222320(29)24(19)21121791018(2817)1532416(1115)25(26)27h212H1H3(H2329)b2112+
MFCD01018400
ZINC000005417067
ZINC35418464
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