Vitas-M small molecule compound
4-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK598489
SMILES COc1ccc(cc1/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC(C)C)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 C20H22N4O3S MW 398.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3S/c1-13(2)27-17-7-5-6-14(10-17)19-22-23-20(28)24(19)21-12-15-11-16(25-3)8-9-18(15)26-4/h5-13H,1-4H3,(H,23,28)/b21-12+InChIKey
VDIKQVNRHRMQMJ-CIAFOILYSA-NSynonyms
573936-71-74(((E)(25dimethoxyphenyl)methylidene)amino)5(3(propan2yloxy)phenyl)24dihydro3H124triazole3thione
4((1E)2(25DIMETHOXYPHENYL)1AZAVINYL)5(3(METHYLETHOXY)PHENYL)124TRIAZOLE3THIOL
4((E)(25DIMETHOXYPHENYL)METHYLIDENEAMINO)3(3PROPAN2YLOXYPHENYL)1H124TRIAZOLE5THIONE
573936717
CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2N=CC3=C(C=CC(=C3)OC)OC
COc1ccc(cc1C=Nn1c(=S)(nH)nc1c1cccc(c1)OC(C)C)OC
InChI=1SC20H22N4O3Sc113(2)271775614(1017)19222320(28)24(19)2112151116(253)8918(15)264h513H14H3(H2328)b2112+
MFCD07206002
ZINC000005789819
ZINC33350412
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