Vitas-M small molecule compound
methyl 3-({3-[4-(difluoromethyl)-2,3-dimethyl-6-oxo-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanoyl}amino)-4-methylbenzoate
Catalog ID
STL404541
SMILES COC(=O)c1ccc(c(c1)NC(=O)CCn1c(=O)cc(c2c1nn(c2C)C)C(F)F)C
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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 C21H22F2N4O4 MW 432.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F2N4O4/c1-11-5-6-13(21(30)31-4)9-15(11)24-16(28)7-8-27-17(29)10-14(19(22)23)18-12(2)26(3)25-20(18)27/h5-6,9-10,19H,7-8H2,1-4H3,(H,24,28)InChIKey
LAFZUVJYGYZBIA-UHFFFAOYSA-NSynonyms
1174866-15-91174866159
CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCN2C(=O)C=C(C3=C(N(N=C32)C)C)C(F)F
InChI=1SC21H22F2N4O4c1115613(21(30)314)915(11)2416(28)782717(29)1014(19(22)23)1812(2)26(3)2520(18)27h5691019H78H214H3(H2428)
methyl3((3(4(difluoromethyl)23dimethyl6oxo26dihydro7Hpyrazolo(34b)pyridin7yl)propanoyl)amino)4methylbenzoate
methyl3(3(4(difluoromethyl)23dimethyl6oxopyrazolo(34b)pyridin7yl)propanoylamino)4methylbenzoate
MFCD12025524
ZINC000036621417
ZINC36621417
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