Vitas-M small molecule compound
3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-N-[(E)-{5-[(4-fluorophenoxy)methyl]furan-2-yl}methylidene]-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL395339
SMILES Fc1ccc(cc1)OCc1ccc(o1)/C=N/n1c(C)nnc1SCn1nc(c(c1C)[N+](=O)[O-])C
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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 C21H20FN7O4S MW 485.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN7O4S/c1-13-20(29(30)31)14(2)27(26-13)12-34-21-25-24-15(3)28(21)23-10-18-8-9-19(33-18)11-32-17-6-4-16(22)5-7-17/h4-10H,11-12H2,1-3H3/b23-10+InChIKey
AGDHXKDLZWIHMS-AUEPDCJTSA-NSynonyms
1005672-39-8(E)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)1(5((4fluorophenoxy)methyl)furan2yl)methanimine
1005672398
3(((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)SULFANYL)N((E)(5((4FLUOROPHENOXY)METHYL)FURAN2YL)METHYLIDENE)5METHYL4H124TRIAZOL4AMINE
CC1=C(C(=NN1CSC2=NN=C(N2N=CC3=CC=C(O3)COC4=CC=C(C=C4)F)C)C)(N+)(=O)(O)
Fc1ccc(cc1)OCc1ccc(o1)C=Nn1c(C)nnc1SCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC21H20FN7O4Sc11320(29(30)31)14(2)27(2613)123421252415(3)28(21)2310188919(3318)1132176416(22)5717h410H1112H213H3b2310+
MFCD05667527
ZINC000002733161
ZINC4510589
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