Vitas-M small molecule compound
4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL148905
SMILES CC(c1ccc(cc1)/C=N/n1c(COc2ccccc2)n[nH]c1=S)(C)C
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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 C20H22N4OS MW 366.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4OS/c1-20(2,3)16-11-9-15(10-12-16)13-21-24-18(22-23-19(24)26)14-25-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3,(H,23,26)/b21-13+InChIKey
GVAUEPQAGULGIP-FYJGNVAPSA-NSynonyms
487026-11-94(((E)(4tertbutylphenyl)methylidene)amino)5(phenoxymethyl)24dihydro3H124triazole3thione
4((1E)2(4(TERTBUTYL)PHENYL)1AZAVINYL)5(PHENOXYMETHYL)124TRIAZOLE3THIOL
4((E)(4TERTBUTYLPHENYL)METHYLIDENEAMINO)3(PHENOXYMETHYL)1H124TRIAZOLE5THIONE
487026119
CC(C)(C)C1=CC=C(C=C1)C=NN2C(=NNC2=S)COC3=CC=CC=C3
CC(c1ccc(cc1)C=Nn1c(COc2ccccc2)n(nH)c1=S)(C)C
InChI=1SC20H22N4OSc120(23)1611915(101216)13212418(222319(24)26)1425177546817h413H14H213H3(H2326)b2113+
MFCD03811848
ZINC000002321400
ZINC2321399
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