Vitas-M small molecule compound

(8S,8aR,11aS)-10-(4-acetylphenyl)-8-[(4-nitrophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione

Catalog ID
STL054176
SMILES O=C([C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C)cccc3)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 C29H21N3O6 MW 507.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N3O6/c1-16(33)17-6-10-20(11-7-17)31-28(35)23-24(29(31)36)26(27(34)19-8-12-21(13-9-19)32(37)38)30-15-14-18-4-2-3-5-22(18)25(23)30/h2-15,23-26H,1H3/t23-,24+,25?,26-/m0/s1
InChIKey
IUTWYLKQEPPCIC-HLMSNRGBSA-N
Synonyms
1013982-92-7
(8S8aR11aS)10(4acetylphenyl)8((4nitrophenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)10(4acetylphenyl)8(4nitrobenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1013982927
CC(=O)C1=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)
InChI=1SC29H21N3O6c116(33)1761020(11717)3128(35)2324(29(31)36)26(27(34)1981221(13919)32(37)38)30151418423522(18)25(23)30h2152326H1H3t2324+25?26m0s1
MFCD18249585
O=C((C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(cc1)C(=O)C)cccc3)c1ccc(cc1)(N+)(=O)(O)
ZINC000018166959
ZINC000033918950

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Available files

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