Vitas-M small molecule compound
benzyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK015738
SMILES Cc1ccc(s1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1
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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 C25H27NO3S MW 421.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO3S/c1-15-10-11-20(30-15)23-21(24(28)29-14-17-8-6-5-7-9-17)16(2)26-18-12-25(3,4)13-19(27)22(18)23/h5-11,23,26H,12-14H2,1-4H3InChIKey
WAEACNDIMOXWGD-UHFFFAOYSA-NSynonyms
421569-89-3421569893
benzyl277trimethyl4(5methylthiophen2yl)5oxo145678hexahydroquinoline3carboxylate
benzyl277trimethyl4(5methylthiophen2yl)5oxo1468tetrahydroquinoline3carboxylate
CC1=CC=C(S1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=CC=C4)C
Cc1ccc(s1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1
InChI=1SC25H27NO3Sc115101120(3015)2321(24(28)2914178657917)16(2)26181225(34)1319(27)22(18)23h5112326H1214H214H3
MFCD02633534
STK015738
ZINC000001188049
ZINC000001188053
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