Vitas-M small molecule compound

diethyl 2-amino-5-oxo-1-phenyl-4-(pyridin-3-yl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK684710
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(c1ccccc1)C(=C(C2c1cccnc1)C(=O)OCC)N

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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 C30H29N3O5S MW 543.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O5S/c1-3-37-29(35)24-20(22-13-9-15-39-22)16-21-25(27(24)34)23(18-10-8-14-32-17-18)26(30(36)38-4-2)28(31)33(21)19-11-6-5-7-12-19/h5-15,17,20,23-24H,3-4,16,31H2,1-2H3
InChIKey
NHHJQWSBYPECPF-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC=CC=C3)N)C(=O)OCC)C4=CN=CC=C4)C5=CC=CS5
diethyl2amino5oxo1phenyl4(pyridin3yl)7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl2amino5oxo1phenyl4pyridin3yl7thiophen2yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC30H29N3O5Sc133729(35)2420(22139153922)162125(27(24)34)23(1810814321718)26(30(36)3842)28(31)33(21)19116571219h51517202324H341631H212H3
MFCD05855824
ZINC000001426845
ZINC000103014900

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Available files

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