Vitas-M small molecule compound
4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK575508
SMILES COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)Br)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 C19H19BrN4O4S MW 479.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19BrN4O4S/c1-25-14-6-5-11(7-13(14)20)10-21-24-18(22-23-19(24)29)12-8-15(26-2)17(28-4)16(9-12)27-3/h5-10H,1-4H3,(H,23,29)/b21-10+InChIKey
UPVWYFOWESLXKN-UFFVCSGVSA-NSynonyms
499182-61-54(((E)(3bromo4methoxyphenyl)methylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((1E)2(3BROMO4METHOXYPHENYL)1AZAVINYL)5(345TRIMETHOXYPHENYL)124TRIAZOLE3THIOL
4((E)(3BROMO4METHOXYPHENYL)METHYLIDENEAMINO)3(345TRIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
499182615
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC)Br
COc1cc(cc(c1OC)OC)c1n(nH)c(=S)n1N=Cc1ccc(c(c1)Br)OC
InChI=1SC19H19BrN4O4Sc125146511(713(14)20)10212418(222319(24)29)12815(262)17(284)16(912)273h510H14H3(H2329)b2110+
MFCD07203897
ZINC000009087468
ZINC1476072
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