Vitas-M small molecule compound
(2E)-4-{[3-(ethoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino}-2-methyl-4-oxobut-2-enoic acid
Catalog ID
STK427523
SMILES CCOC(=O)c1c(NC(=O)/C=C(/C(=O)O)\C)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/c1-3-23-17(22)14-11-7-5-4-6-8-12(11)24-15(14)18-13(19)9-10(2)16(20)21/h9H,3-8H2,1-2H3,(H,18,19)(H,20,21)/b10-9+InChIKey
ARHLKLRMUZOGHK-MDZDMXLPSA-NSynonyms
(2E)4((3(ethoxycarbonyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)2methyl4oxobut2enoicacid
(E)4((3ethoxycarbonyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)2methyl4oxobut2enoicacid
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C=C(C)C(=O)O
CCOC(=O)c1c(NC(=O)C=C(C(=O)O)C)sc2c1CCCCC2
InChI=1SC17H21NO5Sc132317(22)14117546812(11)2415(14)1813(19)910(2)16(20)21h9H38H212H3(H1819)(H2021)b109+
MFCD02612491
ZINC000005598535
ZINC5598535
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