Vitas-M small molecule compound

2-amino-3-cyano-4',4',6'-trimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl 3,4,5-trimethoxybenzoate

Catalog ID
STK203035
SMILES N#CC1=C(N)OC2=C(C31c1cc(OC(=O)c4cc(OC)c(c(c4)OC)OC)cc4c1N(C3=O)C(C)(C)CC4C)C(=O)CCC2

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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 C33H33N3O8 MW 599.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O8/c1-16-14-32(2,3)36-27-19(16)12-18(43-30(38)17-10-24(40-4)28(42-6)25(11-17)41-5)13-20(27)33(31(36)39)21(15-34)29(35)44-23-9-7-8-22(37)26(23)33/h10-13,16H,7-9,14,35H2,1-6H3
InChIKey
FSOVJIGEGZGLHV-UHFFFAOYSA-N
Synonyms

2amino3cyano446trimethyl25dioxo556678hexahydro4Hspiro(chromene41pyrrolo(321ij)quinolin)8yl345trimethoxybenzoate
CC1CC(N2C3=C(C=C(C=C13)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC)C5(C2=O)C(=C(OC6=C5C(=O)CCC6)N)C#N)(C)C
InChI=1SC33H33N3O8c1161432(23)362719(16)1218(4330(38)171024(404)28(426)25(1117)415)1320(27)33(31(36)39)21(1534)29(35)442397822(37)26(23)33h101316H791435H216H3
MFCD06002353
ZINC000059616733
ZINC000059616747

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Available files

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