Vitas-M small molecule compound
(2E)-4-{[3-(ethoxycarbonyl)-5-(propan-2-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid
Catalog ID
STK532058
SMILES CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CC(OC2)C(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 C17H21NO6S MW 367.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO6S/c1-4-23-17(22)15-10-7-11(9(2)3)24-8-12(10)25-16(15)18-13(19)5-6-14(20)21/h5-6,9,11H,4,7-8H2,1-3H3,(H,18,19)(H,20,21)/b6-5+InChIKey
OSCOUEYRVLSPSU-AATRIKPKSA-NSynonyms
(2E)4((3(ethoxycarbonyl)5(propan2yl)47dihydro5Hthieno(23c)pyran2yl)amino)4oxobut2enoicacid
(E)4((3(ethoxycarbonyl)5isopropyl57dihydro4Hthieno(23c)pyran2yl)amino)4oxobut2enoicacid
(E)4((3ETHOXYCARBONYL5PROPAN2YL57DIHYDRO4HTHIENO(23C)PYRAN2YL)AMINO)4OXOBUT2ENOICACID
CCOC(=O)C1=C(SC2=C1CC(OC2)C(C)C)NC(=O)C=CC(=O)O
CCOC(=O)c1c(NC(=O)C=CC(=O)O)sc2c1CC(OC2)C(C)C
InChI=1SC17H21NO6Sc142317(22)1510711(9(2)3)24812(10)2516(15)1813(19)5614(20)21h56911H478H213H3(H1819)(H2021)b65+
MFCD02986932
ZINC000002355660
ZINC000002355662
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