Vitas-M small molecule compound
(8S,8aR,11aS)-8-[(3-nitrophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK547734
SMILES O=C1NC(=O)[C@H]2[C@@H]1[C@@H](C(=O)c1cccc(c1)[N+](=O)[O-])N1C2c2ccccc2C=C1
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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 C21H15N3O5 MW 389.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O5/c25-19(12-5-3-6-13(10-12)24(28)29)18-16-15(20(26)22-21(16)27)17-14-7-2-1-4-11(14)8-9-23(17)18/h1-10,15-18H,(H,22,26,27)/t15-,16+,17?,18-/m0/s1InChIKey
RXNOHIQAEWJFEK-WFFDWFOESA-NSynonyms
1212458-32-6(8S8aR11aS)8((3nitrophenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)8(3nitrobenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1212458326
C1=CC=C2C3C4C(C(N3C=CC2=C1)C(=O)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)NC4=O
InChI=1SC21H15N3O5c2519(1253613(1012)24(28)29)181615(20(26)2221(16)27)1714721411(14)8923(17)18h1101518H(H222627)t1516+17?18m0s1
MFCD18242365
O=C1NC(=O)(C@H)2(C@@H)1(C@@H)(C(=O)c1cccc(c1)(N+)(=O)(O))N1C2c2ccccc2C=C1
ZINC000004955474
ZINC000020130207
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