Vitas-M small molecule compound
(2-{[3-(ethoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino}-2-oxoethoxy)acetic acid
Catalog ID
STK472011
SMILES CCOC(=O)c1c(NC(=O)COCC(=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 C16H21NO6S MW 355.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21NO6S/c1-2-23-16(21)14-10-6-4-3-5-7-11(10)24-15(14)17-12(18)8-22-9-13(19)20/h2-9H2,1H3,(H,17,18)(H,19,20)InChIKey
ZHZCDTMMJQATKF-UHFFFAOYSA-NSynonyms
(2((3(ethoxycarbonyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)2oxoethoxy)aceticacid
2(2((3ethoxycarbonyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)2oxoethoxy)aceticacid
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)COCC(=O)O
InChI=1SC16H21NO6Sc122316(21)14106435711(10)2415(14)1712(18)822913(19)20h29H21H3(H1718)(H1920)
MFCD06060351
ZINC000017073451
ZINC17073451
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