Vitas-M small molecule compound

4-methoxybenzyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK403045
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)C)C(=O)CC(C2)c1cccs1

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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 C33H29NO6S MW 567.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29NO6S/c1-18-6-11-27-23(13-18)32(36)24(17-39-27)30-29(33(37)40-16-20-7-9-22(38-3)10-8-20)19(2)34-25-14-21(15-26(35)31(25)30)28-5-4-12-41-28/h4-13,17,21,30,34H,14-16H2,1-3H3
InChIKey
PMNVPRVFYBOFPZ-UHFFFAOYSA-N
Synonyms

(4methoxyphenyl)methyl2methyl4(6methyl4oxochromen3yl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl2methyl4(6methyl4oxo4Hchromen3yl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
CC1=CC2=C(C=C1)OC=C(C2=O)C3C4=C(CC(CC4=O)C5=CC=CS5)NC(=C3C(=O)OCC6=CC=C(C=C6)OC)C
InChI=1SC33H29NO6Sc1186112723(1318)32(36)24(173927)3029(33(37)4016207922(383)10820)19(2)34251421(1526(35)31(25)30)2854124128h41317213034H1416H213H3
MFCD03371052
ZINC000001438612
ZINC000001438615

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Available files

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