Vitas-M small molecule compound
3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](carboxy)methyl}-1-methyl-1H-indole-5-carboxylic acid
Catalog ID
STK658920
SMILES OC(=O)C(c1cn(c2c1cc(cc2)C(=O)O)C)N1CCN(CC1)Cc1ccc2c(c1)OCO2
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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 C24H25N3O6 MW 451.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O6/c1-25-13-18(17-11-16(23(28)29)3-4-19(17)25)22(24(30)31)27-8-6-26(7-9-27)12-15-2-5-20-21(10-15)33-14-32-20/h2-5,10-11,13,22H,6-9,12,14H2,1H3,(H,28,29)(H,30,31)InChIKey
VUMRFZAPTXSREQ-UHFFFAOYSA-NSynonyms
1214076-74-01214076740
3((4(13benzodioxol5ylmethyl)piperazin1yl)(carboxy)methyl)1methyl1Hindole5carboxylicacid
3((4(13benzodioxol5ylmethyl)piperazin1yl)carboxymethyl)1methylindole5carboxylicacid
3((4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)(carboxy)methyl)1methyl1Hindole5carboxylicacid
CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5
InChI=1SC24H25N3O6c1251318(171116(23(28)29)3419(17)25)22(24(30)31)278626(7927)1215252021(1015)33143220h2510111322H691214H21H3(H2829)(H3031)
MFCD13757188
ZINC000036357522
ZINC000036357523
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