Vitas-M small molecule compound
2-{3-[7-(4-ethoxyphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propyl}-1H-isoindole-1,3(2H)-dione
Catalog ID
STK945384
SMILES CCOc1ccc(cc1)n1c(C)c(c2c1ncn1c2nc(n1)CCCN1C(=O)c2c(C1=O)cccc2)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 C28H26N6O3 MW 494.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N6O3/c1-4-37-20-13-11-19(12-14-20)34-18(3)17(2)24-25(34)29-16-33-26(24)30-23(31-33)10-7-15-32-27(35)21-8-5-6-9-22(21)28(32)36/h5-6,8-9,11-14,16H,4,7,10,15H2,1-3H3InChIKey
VRUHWYUNICADET-UHFFFAOYSA-NSynonyms
1031942-06-91031942069
2(3(7(4ethoxyphenyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin2yl)propyl)1Hisoindole13(2H)dione
CCOC1=CC=C(C=C1)N2C(=C(C3=C2N=CN4C3=NC(=N4)CCCN5C(=O)C6=CC=CC=C6C5=O)C)C
InChI=1SC28H26N6O3c143720131119(121420)3418(3)17(2)2425(34)29163326(24)3023(3133)107153227(35)21856922(21)28(32)36h5689111416H471015H213H3
MFCD18180613
ZINC000021801414
ZINC21801414
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