Vitas-M small molecule compound
3-{[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](carboxy)methyl}-1-methyl-1H-indole-6-carboxylic acid
Catalog ID
STK934856
SMILES OC(=O)C(c1cn(c2c1ccc(c2)C(=O)O)C)N1CCN(CC1)c1nsc2c1cccc2
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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 C23H22N4O4S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S/c1-25-13-17(15-7-6-14(22(28)29)12-18(15)25)20(23(30)31)26-8-10-27(11-9-26)21-16-4-2-3-5-19(16)32-24-21/h2-7,12-13,20H,8-11H2,1H3,(H,28,29)(H,30,31)InChIKey
CWZGMCCVAFQGFU-UHFFFAOYSA-NSynonyms
1214217-02-31214217023
3((4(12benzothiazol3yl)piperazin1yl)(carboxy)methyl)1methyl1Hindole6carboxylicacid
3((4(12benzothiazol3yl)piperazin1yl)carboxymethyl)1methylindole6carboxylicacid
3((4(benzo(d)isothiazol3yl)piperazin1yl)(carboxy)methyl)1methyl1Hindole6carboxylicacid
CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)C4=NSC5=CC=CC=C54
InChI=1SC23H22N4O4Sc1251317(157614(22(28)29)1218(15)25)20(23(30)31)2681027(11926)2116423519(16)322421h27121320H811H21H3(H2829)(H3031)
MFCD13761208
ZINC000036367212
ZINC000036367214
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