Vitas-M small molecule compound
(8S,8aR,11aS)-N-(4-chloro-3-nitrophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Catalog ID
STL050747
SMILES O=C([C@@H]1[C@@H]2C(=O)NC(=O)[C@@H]2C2N1C=Cc1c2cccc1)Nc1ccc(c(c1)[N+](=O)[O-])Cl
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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 C21H15ClN4O5 MW 438.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN4O5/c22-13-6-5-11(9-14(13)26(30)31)23-21(29)18-16-15(19(27)24-20(16)28)17-12-4-2-1-3-10(12)7-8-25(17)18/h1-9,15-18H,(H,23,29)(H,24,27,28)/t15-,16+,17?,18-/m0/s1InChIKey
GUDLRFKUINIPKG-WFFDWFOESA-NSynonyms
1014103-21-9(8S8aR11aS)N(4chloro3nitrophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
1014103219
C1=CC=C2C3C4C(C(N3C=CC2=C1)C(=O)NC5=CC(=C(C=C5)Cl)(N+)(=O)(O))C(=O)NC4=O
InChI=1SC21H15ClN4O5c22136511(914(13)26(30)31)2321(29)181615(19(27)2420(16)28)1712421310(12)7825(17)18h191518H(H2329)(H242728)t1516+17?18m0s1
MFCD18249348
O=C((C@@H)1(C@@H)2C(=O)NC(=O)(C@@H)2C2N1C=Cc1c2cccc1)Nc1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000015989838
ZINC000020358432
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