Vitas-M small molecule compound
methyl 4-(5-bromothiophen-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363773
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(s1)Br)C(=O)CCC2
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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 C16H16BrNO3S MW 382.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrNO3S/c1-8-13(16(20)21-2)15(11-6-7-12(17)22-11)14-9(18-8)4-3-5-10(14)19/h6-7,15,18H,3-5H2,1-2H3InChIKey
RXUNVWGMYKDATN-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(S3)Br)C(=O)OC
InChI=1SC16H16BrNO3Sc1813(16(20)212)15(116712(17)2211)149(188)43510(14)19h671518H35H212H3
methyl4(5bromothiophen2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(5bromothiophen2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD01823387
ZINC000004624826
ZINC000005110504
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