Vitas-M small molecule compound
(2E)-1-{5-[(3,4-dimethoxybenzyl)amino]-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl}-3-(2-methoxyphenyl)prop-2-en-1-one
Catalog ID
STK228981
SMILES COc1cc(CNc2nc(nn2C(=O)/C=C/c2ccccc2OC)c2cccnc2)ccc1OC
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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 C26H25N5O4 MW 471.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O4/c1-33-21-9-5-4-7-19(21)11-13-24(32)31-26(29-25(30-31)20-8-6-14-27-17-20)28-16-18-10-12-22(34-2)23(15-18)35-3/h4-15,17H,16H2,1-3H3,(H,28,29,30)/b13-11+InChIKey
LLDBFEIBANUVQJ-ACCUITESSA-NSynonyms
(2E)1(5((34DIMETHOXYBENZYL)AMINO)3(PYRIDIN3YL)1H124TRIAZOL1YL)3(2METHOXYPHENYL)PROP2EN1ONE
(E)1(5((34dimethoxyphenyl)methylamino)3pyridin3yl124triazol1yl)3(2methoxyphenyl)prop2en1one
COC1=C(C=C(C=C1)CNC2=NC(=NN2C(=O)C=CC3=CC=CC=C3OC)C4=CN=CC=C4)OC
COc1cc(CNc2nc(nn2C(=O)C=Cc2ccccc2OC)c2cccnc2)ccc1OC
InChI=1SC26H25N5O4c13321954719(21)111324(32)3126(2925(3031)208614271720)281618101222(342)23(1518)353h41517H16H213H3(H282930)b1311+
MFCD08671760
ZINC000009289275
ZINC09289275
ZINC9289275
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