Vitas-M small molecule compound
(2E)-4-oxo-4-{[3-(propoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino}but-2-enoic acid
Catalog ID
STK432621
SMILES CCCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCCCC2
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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 C17H21NO5S MW 351.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO5S/c1-2-10-23-17(22)15-11-6-4-3-5-7-12(11)24-16(15)18-13(19)8-9-14(20)21/h8-9H,2-7,10H2,1H3,(H,18,19)(H,20,21)/b9-8+InChIKey
PCPFLQJIVSJNKA-CMDGGOBGSA-NSynonyms
(2E)4oxo4((3(propoxycarbonyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)but2enoicacid
(E)4oxo4((3propoxycarbonyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)but2enoicacid
CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C=CC(=O)O
CCCOC(=O)c1c(NC(=O)C=CC(=O)O)sc2c1CCCCC2
InChI=1SC17H21NO5Sc12102317(22)15116435712(11)2416(15)1813(19)8914(20)21h89H2710H21H3(H1819)(H2021)b98+
MFCD02254252
ZINC000004894169
ZINC4894169
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