Vitas-M small molecule compound
3-{carboxy[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methyl}-1-methyl-1H-indole-6-carboxylic acid
Catalog ID
STK929419
SMILES OC(=O)C(c1cn(c2c1ccc(c2)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(15-3-2-13(19(24)25)10-17(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
NPDDGZVNJAQQKZ-UHFFFAOYSA-NSynonyms
1214058-11-31214058113
3(carboxy(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)methyl)1methyl1Hindole6carboxylicacid
3(carboxy(4(11dioxothiolan3yl)piperazin1yl)methyl)1methylindole6carboxylicacid
CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)C4CCS(=O)(=O)C4
InChI=1SC20H25N3O6Sc1211116(153213(19(24)25)1017(15)21)18(20(26)27)237522(6823)144930(2829)1214h2310111418H4912H21H3(H2425)(H2627)
MFCD13758860
ZINC000036359537
ZINC000036359540
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