Vitas-M small molecule compound
N-{(E)-[4-(benzyloxy)phenyl]methylidene}-3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL400529
SMILES Cc1nnc(n1/N=C/c1ccc(cc1)OCc1ccccc1)SCn1nc(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 C23H23N7O3S MW 477.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N7O3S/c1-16-22(30(31)32)17(2)28(27-16)15-34-23-26-25-18(3)29(23)24-13-19-9-11-21(12-10-19)33-14-20-7-5-4-6-8-20/h4-13H,14-15H2,1-3H3/b24-13+InChIKey
PEHRBCXRFQKWHE-ZMOGYAJESA-NSynonyms
1005643-16-2(E)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)1(4phenylmethoxyphenyl)methanimine
1005643162
CC1=C(C(=NN1CSC2=NN=C(N2N=CC3=CC=C(C=C3)OCC4=CC=CC=C4)C)C)(N+)(=O)(O)
Cc1nnc(n1N=Cc1ccc(cc1)OCc1ccccc1)SCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC23H23N7O3Sc11622(30(31)32)17(2)28(2716)153423262518(3)29(23)24131991121(121019)3314207546820h413H1415H213H3b2413+
MFCD05667586
N((E)(4(benzyloxy)phenyl)methylidene)3(((35dimethyl4nitro1Hpyrazol1yl)methyl)sulfanyl)5methyl4H124triazol4amine
ZINC000002733244
ZINC101587122
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