Vitas-M small molecule compound

propan-2-yl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK002406
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1cccs1)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 C25H25NO5S MW 451.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO5S/c1-13(2)31-25(28)22-14(3)26-17-9-16(21-5-4-8-32-21)10-18(27)24(17)23(22)15-6-7-19-20(11-15)30-12-29-19/h4-8,11,13,16,23,26H,9-10,12H2,1-3H3
InChIKey
JKOMXXWZJUZSHZ-UHFFFAOYSA-N
Synonyms

CC(OC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1cccs1)C
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5)C(=O)OC(C)C
InChI=1SC25H25NO5Sc113(2)3125(28)2214(3)2617916(215483221)1018(27)24(17)23(22)15671920(1115)30122919h481113162326H91012H213H3
MFCD02627252
propan2yl4(13benzodioxol5yl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
propan2yl4(13benzodioxol5yl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
STK002406
ZINC000000909395
ZINC000000909404

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Available files

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