Vitas-M small molecule compound
N-[(E)-(2,3-dimethoxyphenyl)methylidene]-3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL390880
SMILES COc1c(cccc1OC)/C=N/n1c(nnc1C)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 C18H21N7O4S MW 431.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N7O4S/c1-11-16(25(26)27)12(2)23(22-11)10-30-18-21-20-13(3)24(18)19-9-14-7-6-8-15(28-4)17(14)29-5/h6-9H,10H2,1-5H3/b19-9+InChIKey
CXCAYUIJIIVSKR-DJKKODMXSA-NSynonyms
1005614-46-9(E)1(23dimethoxyphenyl)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)methanimine
1005614469
CC1=C(C(=NN1CSC2=NN=C(N2N=CC3=C(C(=CC=C3)OC)OC)C)C)(N+)(=O)(O)
COc1c(cccc1OC)C=Nn1c(nnc1C)SCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC18H21N7O4Sc11116(25(26)27)12(2)23(2211)103018212013(3)24(18)1991476815(284)17(14)295h69H10H215H3b199+
MFCD04141230
N((E)(23dimethoxyphenyl)methylidene)3(((35dimethyl4nitro1Hpyrazol1yl)methyl)sulfanyl)5methyl4H124triazol4amine
ZINC000002732649
ZINC101589142
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