Vitas-M small molecule compound

4-(prop-2-en-1-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK500700
SMILES C=CCn1c(S)nnc1c1cc(OC)c(c(c1)OC)OC

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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 C14H17N3O3S MW 307.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N3O3S/c1-5-6-17-13(15-16-14(17)21)9-7-10(18-2)12(20-4)11(8-9)19-3/h5,7-8H,1,6H2,2-4H3,(H,16,21)
InChIKey
WYCLSGGCWPZUKL-UHFFFAOYSA-N
Synonyms
77803-42-0
4(PROP2EN1YL)5(345TRIMETHOXYPHENYL)124TRIAZOLE3THIOL
4(PROP2EN1YL)5(345TRIMETHOXYPHENYL)24DIHYDRO3H124TRIAZOLE3THIONE
4(PROP2EN1YL)5(345TRIMETHOXYPHENYL)4H124TRIAZOLE3THIOL
4ALLYL3(345TRIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
4ALLYL5(345TRIMETHOXYPHENYL)24DIHYDRO3H124TRIAZOLE3THIONE
4ALLYL5(345TRIMETHOXYPHENYL)4H(124)TRIAZOLE3THIOL
4ALLYL5(345TRIMETHOXYPHENYL)4H124TRIAZOLE3THIOL
4PROP2ENYL3(345TRIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
4PROP2ENYL5(345TRIMETHOXYPHENYL)124TRIAZOLE3THIOL
COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2CC=C
InChI=1SC14H17N3O3Sc1561713(151614(17)21)9710(182)12(204)11(89)193h578H16H224H3(H1621)
MFCD01038805
ZINC000000467422
ZINC00467422
ZINC467422

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Available files

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