Vitas-M small molecule compound
(2E)-3-(4-methoxyphenyl)-1-[5-{[4-(propan-2-yl)benzyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]prop-2-en-1-one
Catalog ID
STK227648
SMILES COc1ccc(cc1)/C=C/C(=O)n1nc(nc1NCc1ccc(cc1)C(C)C)c1cccnc1
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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 C27H27N5O2 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O2/c1-19(2)22-11-6-21(7-12-22)17-29-27-30-26(23-5-4-16-28-18-23)31-32(27)25(33)15-10-20-8-13-24(34-3)14-9-20/h4-16,18-19H,17H2,1-3H3,(H,29,30,31)/b15-10+InChIKey
KBOAAWMQCCVDFL-XNTDXEJSSA-NSynonyms
(2E)3(4METHOXYPHENYL)1(5((4(PROPAN2YL)BENZYL)AMINO)3(PYRIDIN3YL)1H124TRIAZOL1YL)PROP2EN1ONE
(E)3(4methoxyphenyl)1(5((4propan2ylphenyl)methylamino)3pyridin3yl124triazol1yl)prop2en1one
CC(C)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C=CC3=CC=C(C=C3)OC)C4=CN=CC=C4
COc1ccc(cc1)C=CC(=O)n1nc(nc1NCc1ccc(cc1)C(C)C)c1cccnc1
InChI=1SC27H27N5O2c119(2)2211621(71222)1729273026(235416281823)3132(27)25(33)15102081324(343)14920h4161819H17H213H3(H293031)b1510+
MFCD08671748
ZINC000009288865
ZINC09288865
ZINC9288865
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