Vitas-M small molecule compound
4-[1-(2-ethoxy-2-oxoethyl)-7-hydroxy-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoic acid
Catalog ID
STL313564
SMILES CCOC(=O)Cn1nc(c2c1N=C(O)CSC2c1ccc(cc1)C(=O)O)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 C18H19N3O5S MW 389.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O5S/c1-3-26-14(23)8-21-17-15(10(2)20-21)16(27-9-13(22)19-17)11-4-6-12(7-5-11)18(24)25/h4-7,16H,3,8-9H2,1-2H3,(H,19,22)(H,24,25)InChIKey
QTOVEMKJCPIZDA-UHFFFAOYSA-NSynonyms
1435993-05-71435993057
4(1(2ethoxy2oxoethyl)7hydroxy3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin4yl)benzoicacid
MFCD28030183
ZINC000095475631
ZINC000095475632
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