Vitas-M small molecule compound

3-{carboxy[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methyl}-1-methyl-1H-indole-5-carboxylic acid

Catalog ID
STK660236
SMILES OC(=O)C(c1cn(c2c1cc(cc2)C(=O)O)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/c1-21-11-16(15-10-13(19(24)25)2-3-17(15)21)18(20(26)27)23-7-5-22(6-8-23)14-4-9-30(28,29)12-14/h2-3,10-11,14,18H,4-9,12H2,1H3,(H,24,25)(H,26,27)
InChIKey
CPPYWLRJWARROA-UHFFFAOYSA-N
Synonyms
1214027-78-7
1214027787
3(carboxy(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)methyl)1methyl1Hindole5carboxylicacid
3(carboxy(4(11dioxothiolan3yl)piperazin1yl)methyl)1methylindole5carboxylicacid
CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)C4CCS(=O)(=O)C4
InChI=1SC20H25N3O6Sc1211116(151013(19(24)25)2317(15)21)18(20(26)27)237522(6823)144930(2829)1214h2310111418H4912H21H3(H2425)(H2627)
MFCD13757483
ZINC000036357871
ZINC000036357874

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Available files

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