Vitas-M small molecule compound

4-{[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK598160
SMILES COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1cccn1C

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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 C17H19N5O3S MW 373.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N5O3S/c1-21-7-5-6-12(21)10-18-22-16(19-20-17(22)26)11-8-13(23-2)15(25-4)14(9-11)24-3/h5-10H,1-4H3,(H,20,26)/b18-10+
InChIKey
OXYMTUAPHIXAGJ-VCHYOVAHSA-N
Synonyms
497943-68-7
4(((E)(1methyl1Hpyrrol2yl)methylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((1(1METHYL1HPYRROL2YL)METH(E)YLIDENE)AMINO)5(345TRIMETHOXYPHENYL)4H(124)TRIAZOLE3THIOL
4((1E)2(1METHYLPYRROL2YL)1AZAVINYL)5(345TRIMETHOXYPHENYL)124TRIAZOLE3THIOL
4((E)(1METHYLPYRROL2YL)METHYLIDENEAMINO)3(345TRIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
497943687
CN1C=CC=C1C=NN2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC
COc1cc(cc(c1OC)OC)c1n(nH)c(=S)n1N=Cc1cccn1C
InChI=1SC17H19N5O3Sc12175612(21)10182216(192017(22)26)11813(232)15(254)14(911)243h510H14H3(H2026)b1810+
MFCD07209995
ZINC000005630534
ZINC15988041

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Available files

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