Vitas-M small molecule compound

(2E)-3-(2-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
STK227649
SMILES COc1ccccc1/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)21-12-10-20(11-13-21)17-29-27-30-26(23-8-6-16-28-18-23)31-32(27)25(33)15-14-22-7-4-5-9-24(22)34-3/h4-16,18-19H,17H2,1-3H3,(H,29,30,31)/b15-14+
InChIKey
VDTRPBPBYNASCZ-CCEZHUSRSA-N
Synonyms

(2E)3(2METHOXYPHENYL)1(5((4(PROPAN2YL)BENZYL)AMINO)3(PYRIDIN3YL)1H124TRIAZOL1YL)PROP2EN1ONE
(E)3(2methoxyphenyl)1(5((4propan2ylphenyl)methylamino)3pyridin3yl124triazol1yl)prop2en1one
CC(C)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C=CC3=CC=CC=C3OC)C4=CN=CC=C4
COc1ccccc1C=CC(=O)n1nc(nc1NCc1ccc(cc1)C(C)C)c1cccnc1
InChI=1SC27H27N5O2c119(2)21121020(111321)1729273026(238616281823)3132(27)25(33)151422745924(22)343h4161819H17H213H3(H293031)b1514+
MFCD08671749
ZINC000009288866
ZINC09288866
ZINC9288866

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Available files

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