Vitas-M small molecule compound
methyl 4-{5-[2-(1H-indol-3-yl)ethyl]-3-methyl-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl}benzoate
Catalog ID
STK787478
SMILES COC(=O)c1ccc(cc1)C1N(CCc2c[nH]c3c2cccc3)C(=O)c2c1c(C)n[nH]2
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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 C24H22N4O3 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O3/c1-14-20-21(27-26-14)23(29)28(12-11-17-13-25-19-6-4-3-5-18(17)19)22(20)15-7-9-16(10-8-15)24(30)31-2/h3-10,13,22,25H,11-12H2,1-2H3,(H,26,27)InChIKey
JEFGGIFRQAMUMX-UHFFFAOYSA-NSynonyms
929833-27-2929833272
CC1=C2C(N(C(=O)C2=NN1)CCC3=CNC4=CC=CC=C43)C5=CC=C(C=C5)C(=O)OC
COC(=O)c1ccc(cc1)C1N(CCc2c(nH)c3c2cccc3)C(=O)c2c1c(C)n(nH)2
InChI=1SC24H22N4O3c1142021(272614)23(29)28(121117132519643518(17)19)22(20)157916(10815)24(30)312h310132225H1112H212H3(H2627)
methyl4(5(2(1Hindol3yl)ethyl)3methyl6oxo1456tetrahydropyrrolo(34c)pyrazol4yl)benzoate
methyl4(5(2(1Hindol3yl)ethyl)3methyl6oxo24dihydropyrrolo(34c)pyrazol4yl)benzoate
MFCD09847206
ZINC000013571708
ZINC000013571710
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