Vitas-M small molecule compound
3-{[4-(tert-butoxycarbonyl)piperazin-1-yl](carboxy)methyl}-1-methyl-1H-indole-6-carboxylic acid
Catalog ID
STK942688
SMILES OC(=O)C(c1cn(c2c1ccc(c2)C(=O)O)C)N1CCN(CC1)C(=O)OC(C)(C)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 C21H27N3O6 MW 417.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O6/c1-21(2,3)30-20(29)24-9-7-23(8-10-24)17(19(27)28)15-12-22(4)16-11-13(18(25)26)5-6-14(15)16/h5-6,11-12,17H,7-10H2,1-4H3,(H,25,26)(H,27,28)InChIKey
PEHWQWIHWDQWIX-UHFFFAOYSA-NSynonyms
1214083-68-71214083687
3((4(tertbutoxycarbonyl)piperazin1yl)(carboxy)methyl)1methyl1Hindole6carboxylicacid
3(carboxy(4((2methylpropan2yl)oxycarbonyl)piperazin1yl)methyl)1methylindole6carboxylicacid
CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)C(=O)O)C)C(=O)O
InChI=1SC21H27N3O6c121(23)3020(29)249723(81024)17(19(27)28)151222(4)161113(18(25)26)5614(15)16h56111217H710H214H3(H2526)(H2728)
MFCD13759974
ZINC000036360881
ZINC000036360882
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