Vitas-M small molecule compound

butyl 4-[(6aR,6bS,9aR,10S)-10-[(4-nitrophenyl)carbamoyl]-7,9-dioxo-6b,7,9a,10-tetrahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-8(9H)-yl]benzoate

Catalog ID
STK552787
SMILES CCCCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(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 C32H28N4O7 MW 580.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N4O7/c1-2-3-18-43-32(40)20-8-13-22(14-9-20)34-30(38)26-25-17-10-19-6-4-5-7-24(19)35(25)28(27(26)31(34)39)29(37)33-21-11-15-23(16-12-21)36(41)42/h4-17,25-28H,2-3,18H2,1H3,(H,33,37)/t25-,26-,27-,28+/m1/s1
InChIKey
JGOGKBRAAGBWCH-HPQIJTKRSA-N
Synonyms

butyl4((6aR6bS9aR10S)10((4nitrophenyl)carbamoyl)79dioxo6b79a10tetrahydro6aHpyrrolo(3434)pyrrolo(12a)quinolin8(9H)yl)benzoate
CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)NC6=CC=C(C=C6)(N+)(=O)(O)
CCCCOC(=O)c1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1(C@@H)2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC32H28N4O7c123184332(40)2081322(14920)3430(38)2625171019645724(19)35(25)28(27(26)31(34)39)29(37)3321111523(161221)36(41)42h4172528H2318H21H3(H3337)t25262728+m1s1
MFCD18242671
ZINC000102463078
ZINC102463078

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Available files

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