Vitas-M small molecule compound

4-[(8S,8aR,11aS)-8-[(4-nitrophenyl)carbonyl]-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]phenyl acetate

Catalog ID
STK569665
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc(cc2)[N+](=O)[O-])C=Cc2c1cccc2

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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 C29H21N3O7 MW 523.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N3O7/c1-16(33)39-21-12-10-19(11-13-21)31-28(35)23-24(29(31)36)26(27(34)18-6-8-20(9-7-18)32(37)38)30-15-14-17-4-2-3-5-22(17)25(23)30/h2-15,23-26H,1H3/t23-,24+,25?,26-/m0/s1
InChIKey
MSZFORVZHXBJDY-HLMSNRGBSA-N
Synonyms
1013885-80-7
1013885807
4((8S8aR11aS)8((4nitrophenyl)carbonyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)phenylacetate
4((8S8aR11aS)8(4nitrobenzoyl)911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=C(C=C6)(N+)(=O)(O)
CC(=O)Oc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2ccc(cc2)(N+)(=O)(O))C=Cc2c1cccc2
InChI=1SC29H21N3O7c116(33)3921121019(111321)3128(35)2324(29(31)36)26(27(34)186820(9718)32(37)38)30151417423522(17)25(23)30h2152326H1H3t2324+25?26m0s1
MFCD18245312
ZINC000101216039
ZINC000101216044

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Available files

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