Vitas-M small molecule compound
3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-N-{(E)-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]methylidene}-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL392303
SMILES COc1ccc(cc1Cn1cccn1)/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 C21H23N9O3S MW 481.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N9O3S/c1-14-20(30(31)32)15(2)28(26-14)13-34-21-25-24-16(3)29(21)23-11-17-6-7-19(33-4)18(10-17)12-27-9-5-8-22-27/h5-11H,12-13H2,1-4H3/b23-11+InChIKey
NJIZAVMCIGNPHD-FOKLQQMPSA-NSynonyms
1005672-65-0(E)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)1(4methoxy3(pyrazol1ylmethyl)phenyl)methanimine
1005672650
3(((35dimethyl4nitro1Hpyrazol1yl)methyl)sulfanyl)N((E)(4methoxy3(1Hpyrazol1ylmethyl)phenyl)methylidene)5methyl4H124triazol4amine
CC1=C(C(=NN1CSC2=NN=C(N2N=CC3=CC(=C(C=C3)OC)CN4C=CC=N4)C)C)(N+)(=O)(O)
COc1ccc(cc1Cn1cccn1)C=Nn1c(C)nnc1SCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC21H23N9O3Sc11420(30(31)32)15(2)28(2614)133421252416(3)29(21)2311176719(334)18(1017)12279582227h511H1213H214H3b2311+
MFCD05667570
ZINC000002733222
ZINC4510596
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