Vitas-M small molecule compound

3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine

Catalog ID
STL341021
SMILES COc1cc(cc(c1OC)OC)c1nnc(n1N)SC/C=C/c1ccccc1

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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 C20H22N4O3S MW 398.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3S/c1-25-16-12-15(13-17(26-2)18(16)27-3)19-22-23-20(24(19)21)28-11-7-10-14-8-5-4-6-9-14/h4-10,12-13H,11,21H2,1-3H3/b10-7+
InChIKey
KGDYLPDROZJSPT-JXMROGBWSA-N
Synonyms
578745-81-0
(3(((E)CINNAMYL)THIO)5(345TRIMETHOXYPHENYL)124TRIAZOL4YL)AMINE
3(((2E)3phenylprop2en1yl)sulfanyl)5(345trimethoxyphenyl)4H124triazol4amine
3(((E)3PHENYLPROP2ENYL)THIO)5(345TRIMETHOXYPHENYL)124TRIAZOL4AMINE
3((2E)3PHENYLPROP2ENYLTHIO)5(345TRIMETHOXYPHENYL)124TRIAZOLE4YLAMINE
3((E)3PHENYLALLYLSULFANYL)5(345TRIMETHOXYPHENYL)(124)TRIAZOL4YLAMINE
3((E)3PHENYLPROP2ENYL)SULFANYL5(345TRIMETHOXYPHENYL)124TRIAZOL4AMINE
3(CINNAMYLTHIO)5(345TRIMETHOXYPHENYL)4H124TRIAZOL4AMINE
578745810
COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC=CC3=CC=CC=C3
COc1cc(cc(c1OC)OC)c1nnc(n1N)SCC=Cc1ccccc1
InChI=1SC20H22N4O3Sc125161215(1317(262)18(16)273)19222320(24(19)21)2811710148546914h4101213H1121H213H3b107+
MFCD04024120
ZINC000002522905
ZINC02522905
ZINC2522905

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.