Vitas-M small molecule compound

6-methyl 3-propan-2-yl 2,7-dimethyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK404723
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(C(=C(N2)C)C(=O)OC(C)C)c1coc2c(c1=O)cc(cc2)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 C27H29NO7 MW 479.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO7/c1-12(2)35-27(32)21-15(5)28-18-10-14(4)20(26(31)33-6)25(30)23(18)22(21)17-11-34-19-8-7-13(3)9-16(19)24(17)29/h7-9,11-12,14,20,22,28H,10H2,1-6H3
InChIKey
AFCKCJOWUTULEM-UHFFFAOYSA-N
Synonyms

6methyl3propan2yl27dimethyl4(6methyl4oxo4Hchromen3yl)5oxo145678hexahydroquinoline36dicarboxylate
6Omethyl3Opropan2yl27dimethyl4(6methyl4oxochromen3yl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC(C)C)C3=COC4=C(C3=O)C=C(C=C4)C)C(=O)C1C(=O)OC
InChI=1SC27H29NO7c112(2)3527(32)2115(5)28181014(4)20(26(31)336)25(30)23(18)22(21)171134198713(3)916(19)24(17)29h79111214202228H10H216H3
MFCD05026937
ZINC000004788054
ZINC000004788065

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Available files

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