Vitas-M small molecule compound

2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid

Catalog ID
STK606315
SMILES OCCN1CCN(CC1)C(=O)Nc1sc2c(c1C(=O)O)CC(OC2)(C)C

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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 C17H25N3O5S MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H25N3O5S/c1-17(2)9-11-12(10-25-17)26-14(13(11)15(22)23)18-16(24)20-5-3-19(4-6-20)7-8-21/h21H,3-10H2,1-2H3,(H,18,24)(H,22,23)
InChIKey
CWVNFYUUWXAJTJ-UHFFFAOYSA-N
Synonyms
903195-40-4
2(((4(2hydroxyethyl)piperazin1yl)carbonyl)amino)55dimethyl47dihydro5Hthieno(23c)pyran3carboxylicacid
2((4(2HYDROXYETHYL)PIPERAZIN4IUM1CARBONYL)AMINO)55DIMETHYL47DIHYDROTHIENO(23C)PYRAN3CARBOXYLATE
2((4(2HYDROXYETHYL)PIPERAZINE1CARBONYL)AMINO)55DIMETHYL47DIHYDROTHIENO(23C)PYRAN3CARBOXYLICACID
2(4(2hydroxyethyl)piperazine1carboxamido)55dimethyl57dihydro4Hthieno(23c)pyran3carboxylicacid
903195404
CC1(CC2=C(CO1)SC(=C2C(=O)O)NC(=O)N3CCN(CC3)CCO)C
InChI=1SC17H25N3O5Sc117(2)91112(102517)2614(13(11)15(22)23)1816(24)205319(4620)7821h21H310H212H3(H1824)(H2223)
MFCD08285271
ZINC000006661871
ZINC6661871

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.