Vitas-M small molecule compound
(2E)-1-[5-{[4-(diethylamino)benzyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
Catalog ID
STK227696
SMILES CCN(c1ccc(cc1)CNc1nc(nn1C(=O)/C=C/c1ccccc1OC)c1cccnc1)CC
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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 C28H30N6O2 MW 482.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N6O2/c1-4-33(5-2)24-15-12-21(13-16-24)19-30-28-31-27(23-10-8-18-29-20-23)32-34(28)26(35)17-14-22-9-6-7-11-25(22)36-3/h6-18,20H,4-5,19H2,1-3H3,(H,30,31,32)/b17-14+InChIKey
JHVJKJJPGOMMIE-SAPNQHFASA-NSynonyms
(2E)1(5((4(DIETHYLAMINO)BENZYL)AMINO)3(PYRIDIN3YL)1H124TRIAZOL1YL)3(2METHOXYPHENYL)PROP2EN1ONE
(E)1(5((4(diethylamino)phenyl)methylamino)3pyridin3yl124triazol1yl)3(2methoxyphenyl)prop2en1one
CCN(c1ccc(cc1)CNc1nc(nn1C(=O)C=Cc1ccccc1OC)c1cccnc1)CC
CCN(CC)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C=CC3=CC=CC=C3OC)C4=CN=CC=C4
InChI=1SC28H30N6O2c1433(52)24151221(131624)1930283127(2310818292023)3234(28)26(35)1714229671125(22)363h61820H4519H213H3(H303132)b1714+
MFCD08671781
ZINC000013838982
ZINC13838982
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