Vitas-M small molecule compound
methyl 1-{[(4-{[(E)-{5-[(4-nitrophenoxy)methyl]furan-2-yl}methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Catalog ID
STL398562
SMILES COC(=O)c1ccn(n1)CSc1nncn1/N=C/c1ccc(o1)COc1ccc(cc1)[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 C20H17N7O6S MW 483.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N7O6S/c1-31-19(28)18-8-9-25(24-18)13-34-20-23-21-12-26(20)22-10-16-6-7-17(33-16)11-32-15-4-2-14(3-5-15)27(29)30/h2-10,12H,11,13H2,1H3/b22-10+InChIKey
YLIUWVAHIOALLO-LSHDLFTRSA-NSynonyms
1005615-85-91005615859
COC(=O)C1=NN(C=C1)CSC2=NN=CN2N=CC3=CC=C(O3)COC4=CC=C(C=C4)(N+)(=O)(O)
COC(=O)c1ccn(n1)CSc1nncn1N=Cc1ccc(o1)COc1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H17N7O6Sc13119(28)188925(2418)13342023211226(20)2210166717(3316)1132154214(3515)27(29)30h21012H1113H21H3b2210+
METHYL1(((4(((E)(5((4NITROPHENOXY)METHYL)FURAN2YL)METHYLIDENE)AMINO)4H124TRIAZOL3YL)SULFANYL)METHYL)1HPYRAZOLE3CARBOXYLATE
methyl1((4((E)(5((4nitrophenoxy)methyl)furan2yl)methylideneamino)124triazol3yl)sulfanylmethyl)pyrazole3carboxylate
MFCD05667655
ZINC000002733699
ZINC101585280
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Check stock on Vitas-MAvailable files
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