Vitas-M small molecule compound
4-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL043882
SMILES COc1ccc(c(c1)/C=N/n1c(=S)[nH]nc1c1ccncc1)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 C16H15N5O2S MW 341.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N5O2S/c1-22-13-3-4-14(23-2)12(9-13)10-18-21-15(19-20-16(21)24)11-5-7-17-8-6-11/h3-10H,1-2H3,(H,20,24)/b18-10+InChIKey
GMMGAKHSRQLGNM-VCHYOVAHSA-NSynonyms
488715-42-04(((E)(25dimethoxyphenyl)methylidene)amino)5(pyridin4yl)24dihydro3H124triazole3thione
4((1E)2(25DIMETHOXYPHENYL)1AZAVINYL)5(4PYRIDYL)124TRIAZOLE3THIOL
4((E)(25DIMETHOXYPHENYL)METHYLIDENEAMINO)3PYRIDIN4YL1H124TRIAZOLE5THIONE
488715420
COC1=CC(=C(C=C1)OC)C=NN2C(=NNC2=S)C3=CC=NC=C3
COc1ccc(c(c1)C=Nn1c(=S)(nH)nc1c1ccncc1)OC
InChI=1SC16H15N5O2Sc122133414(232)12(913)10182115(192016(21)24)1157178611h310H12H3(H2024)b1810+
MFCD03799865
ZINC000004899256
ZINC1475285
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