Vitas-M small molecule compound
3-{carboxy[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methyl}-1-methyl-1H-indole-2-carboxylic acid
Catalog ID
STK650876
SMILES OC(=O)C(c1c(C(=O)O)n(c2c1cccc2)C)N1CCN(CC1)C1CCS(=O)(=O)C1
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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 C20H25N3O6S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O6S/c1-21-15-5-3-2-4-14(15)16(17(21)19(24)25)18(20(26)27)23-9-7-22(8-10-23)13-6-11-30(28,29)12-13/h2-5,13,18H,6-12H2,1H3,(H,24,25)(H,26,27)InChIKey
BAVVFWVBQSRDGO-UHFFFAOYSA-NSynonyms
1214830-34-81214830348
3(carboxy(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)methyl)1methyl1Hindole2carboxylicacid
3(carboxy(4(11dioxothiolan3yl)piperazin1yl)methyl)1methylindole2carboxylicacid
CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)C4CCS(=O)(=O)C4
InChI=1SC20H25N3O6Sc12115532414(15)16(17(21)19(24)25)18(20(26)27)239722(81023)1361130(2829)1213h251318H612H21H3(H2425)(H2627)
MFCD16624062
ZINC000040267670
ZINC000040267673
Check stock
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Check stock on Vitas-MAvailable files
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