Vitas-M small molecule compound

4-{10-[(3-bromo-4-methoxyphenyl)carbonyl]-7,9-dioxo-6b,7,9a,10-tetrahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-8(9H)-yl}phenyl acetate

Catalog ID
STK566992
SMILES COc1ccc(cc1Br)C(=O)C1C2C(=O)N(C(=O)C2C2N1c1ccccc1C=C2)c1ccc(cc1)OC(=O)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 C30H23BrN2O6 MW 587.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23BrN2O6/c1-16(34)39-20-11-9-19(10-12-20)32-29(36)25-23-13-7-17-5-3-4-6-22(17)33(23)27(26(25)30(32)37)28(35)18-8-14-24(38-2)21(31)15-18/h3-15,23,25-27H,1-2H3
InChIKey
IMIIBNWPHCQBJX-UHFFFAOYSA-N
Synonyms

4((6aS6bR9aS10R)10(3bromo4methoxybenzoyl)79dioxo6b79a10tetrahydro6aHpyrrolo(3434)pyrrolo(12a)quinolin8(9H)yl)phenylacetate
4(10((3bromo4methoxyphenyl)carbonyl)79dioxo6b79a10tetrahydro6aHpyrrolo(3434)pyrrolo(12a)quinolin8(9H)yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)C6=CC(=C(C=C6)OC)Br
COc1ccc(cc1Br)C(=O)(C@H)1(C@H)2C(=O)N(C(=O)(C@H)2(C@H)2N1c1ccccc1C=C2)c1ccc(cc1)OC(=O)C
InChI=1SC30H23BrN2O6c116(34)392011919(101220)3229(36)252313717534622(17)33(23)27(26(25)30(32)37)28(35)1881424(382)21(31)1518h315232527H12H3
MFCD05736355
ZINC000102545012
ZINC000102545026

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Available files

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