Vitas-M small molecule compound
4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK599963
SMILES COc1ccc(cc1Br)/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC(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 C19H19BrN4O2S MW 447.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19BrN4O2S/c1-12(2)26-15-6-4-5-14(10-15)18-22-23-19(27)24(18)21-11-13-7-8-17(25-3)16(20)9-13/h4-12H,1-3H3,(H,23,27)/b21-11+InChIKey
SEMTVWWKQIUVRI-SRZZPIQSSA-NSynonyms
678543-16-34(((E)(3bromo4methoxyphenyl)methylidene)amino)5(3(propan2yloxy)phenyl)24dihydro3H124triazole3thione
4((1E)2(3BROMO4METHOXYPHENYL)1AZAVINYL)5(3(METHYLETHOXY)PHENYL)124TRIAZOLE3THIOL
4((E)(3bromo4methoxyphenyl)methylideneamino)3(3propan2yloxyphenyl)1H124triazole5thione
678543163
CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)OC)Br
COc1ccc(cc1Br)C=Nn1c(=S)(nH)nc1c1cccc(c1)OC(C)C
InChI=1SC19H19BrN4O2Sc112(2)261564514(1015)18222319(27)24(18)2111137817(253)16(20)913h412H13H3(H2327)b2111+
MFCD07203602
ZINC000009087200
ZINC33623340
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