Vitas-M small molecule compound
ethyl 3-amino-4-[4-(methoxycarbonyl)phenyl]-6-methyl-2-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
Catalog ID
STL004870
SMILES CCOC(=O)C1=C(C)Nc2c(C1c1ccc(cc1)C(=O)OC)c(N)c(s2)C(=O)C12CC3CC(C2)CC(C1)C3
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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 C30H34N2O5S MW 534.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O5S/c1-4-37-29(35)21-15(2)32-27-23(22(21)19-5-7-20(8-6-19)28(34)36-3)24(31)25(38-27)26(33)30-12-16-9-17(13-30)11-18(10-16)14-30/h5-8,16-18,22,32H,4,9-14,31H2,1-3H3InChIKey
VLDJKVIJWKQVND-UHFFFAOYSA-NSynonyms
445266-71-7445266717
CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(=O)OC)C(=C(S2)C(=O)C45CC6CC(C4)CC(C6)C5)N)C
ethyl2((1s3s)adamantane1carbonyl)3amino4(4(methoxycarbonyl)phenyl)6methyl47dihydrothieno(23b)pyridine5carboxylate
ETHYL2(1ADAMANTYLCARBONYL)3AMINO4(4(METHOXYCARBONYL)PHENYL)6METHYL47DIHYDROTHIENO(23B)PYRIDINE5CARBOXYLATE
ETHYL2(ADAMANTANE1CARBONYL)3AMINO4(4METHOXYCARBONYLPHENYL)6METHYL47DIHYDROTHIENO(23B)PYRIDINE5CARBOXYLATE
ethyl3amino4(4(methoxycarbonyl)phenyl)6methyl2(tricyclo(3311~37~)dec1ylcarbonyl)47dihydrothieno(23b)pyridine5carboxylate
InChI=1SC30H34N2O5Sc143729(35)2115(2)322723(22(21)195720(8619)28(34)363)24(31)25(3827)26(33)301216917(1330)1118(1016)1430h5816182232H491431H213H3
ZINC000097940080
ZINC000097940081
Check stock
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Check stock on Vitas-MAvailable files
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