Vitas-M small molecule compound
methyl 2,7,7-trimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK092584
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccsc1)C(=O)CC(C2)(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 C18H21NO3S MW 331.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO3S/c1-10-14(17(21)22-4)15(11-5-6-23-9-11)16-12(19-10)7-18(2,3)8-13(16)20/h5-6,9,15,19H,7-8H2,1-4H3InChIKey
GBQDATNPQHMCRH-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CSC=C3)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccsc1)C(=O)CC(C2)(C)C
InChI=1SC18H21NO3Sc11014(17(21)224)15(115623911)1612(1910)718(23)813(16)20h5691519H78H214H3
methyl277trimethyl5oxo4(thiophen3yl)145678hexahydroquinoline3carboxylate
methyl277trimethyl5oxo4thiophen3yl1468tetrahydroquinoline3carboxylate
MFCD01241804
STK092584
ZINC000017530222
ZINC000017530226
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