Vitas-M small molecule compound
2-(3-methyl-1H-1,2,4-triazol-5-yl)-8-pentylpyrido[4,3-g]isoquinoline-1,9(2H,8H)-dione
Catalog ID
STL389421
SMILES CCCCCn1ccc2c(c1=O)cc1c(c2)ccn(c1=O)c1[nH]nc(n1)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 C20H21N5O2 MW 363.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O2/c1-3-4-5-8-24-9-6-14-11-15-7-10-25(20-21-13(2)22-23-20)19(27)17(15)12-16(14)18(24)26/h6-7,9-12H,3-5,8H2,1-2H3,(H,21,22,23)InChIKey
MVUYIUXSUSISOR-UHFFFAOYSA-NSynonyms
2(3methyl1H124triazol5yl)8pentylpyrido(43g)isoquinoline19(2H8H)dione
2(5methyl1H124triazol3yl)8pentylpyrido(43g)isoquinoline19dione
CCCCCN1C=CC2=C(C1=O)C=C3C(=C2)C=CN(C3=O)C4=NNC(=N4)C
CCCCCn1ccc2c(c1=O)cc1c(c2)ccn(c1=O)c1(nH)nc(n1)C
InChI=1SC20H21N5O2c13458249614111571025(202113(2)222320)19(27)17(15)1216(14)18(24)26h67912H358H212H3(H212223)
MFCD28122511
ZINC000095115672
ZINC95115672
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