Vitas-M small molecule compound

2-(4-nitrophenyl)-2-oxoethyl 2-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl]-6-methylquinoline-4-carboxylate

Catalog ID
STK286934
SMILES Cc1ccc2c(c1)c(cc(n2)c1ccc(cc1)N1C(=O)C2C(C1=O)CCCC2)C(=O)OCC(=O)c1ccc(cc1)[N+](=O)[O-]

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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 C33H27N3O7 MW 577.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27N3O7/c1-19-6-15-28-26(16-19)27(33(40)43-18-30(37)21-9-13-23(14-10-21)36(41)42)17-29(34-28)20-7-11-22(12-8-20)35-31(38)24-4-2-3-5-25(24)32(35)39/h6-17,24-25H,2-5,18H2,1H3
InChIKey
MBYORINFZCMYBY-UHFFFAOYSA-N
Synonyms

(2(4nitrophenyl)2oxoethyl)2(4(13dioxo3a45677ahexahydroisoindol2yl)phenyl)6methylquinoline4carboxylate
2(4nitrophenyl)2oxoethyl2(4(13dioxooctahydro2Hisoindol2yl)phenyl)6methylquinoline4carboxylate
CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=C(C=C4)N5C(=O)C6CCCCC6C5=O
Cc1ccc2c(c1)c(cc(n2)c1ccc(cc1)N1C(=O)C2C(C1=O)CCCC2)C(=O)OCC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC33H27N3O7c1196152826(1619)27(33(40)431830(37)2191323(141021)36(41)42)1729(3428)2071122(12820)3531(38)24423525(24)32(35)39h6172425H2518H21H3
MFCD03648862
ZINC000100396179
ZINC000100396182

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Available files

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