Vitas-M small molecule compound

(6aS,6bR,9aS,10R)-8-(4-butoxyphenyl)-10-[(3-nitrophenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione

Catalog ID
STK554022
SMILES CCCCOc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)c1cccc(c1)[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 C31H27N3O6 MW 537.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O6/c1-2-3-17-40-23-14-12-21(13-15-23)32-30(36)26-25-16-11-19-7-4-5-10-24(19)33(25)28(27(26)31(32)37)29(35)20-8-6-9-22(18-20)34(38)39/h4-16,18,25-28H,2-3,17H2,1H3/t25-,26-,27-,28+/m0/s1
InChIKey
CMICDHUVEMGCEC-LAJGZZDBSA-N
Synonyms
1014082-25-7
(6aS6bR9aS10R)8(4butoxyphenyl)10((3nitrophenyl)carbonyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aS6bR9aS10R)8(4butoxyphenyl)10(3nitrobenzoyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
1014082257
CCCCOC1=CC=C(C=C1)N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)C6=CC(=CC=C6)(N+)(=O)(O)
CCCCOc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1(C@H)2C=Cc2c1cccc2)C(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC31H27N3O6c123174023141221(131523)3230(36)26251611197451024(19)33(25)28(27(26)31(32)37)29(35)2086922(1820)34(38)39h416182528H2317H21H3t25262728+m0s1
MFCD18242767
ZINC000101026559
ZINC101026559

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Available files

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