Vitas-M small molecule compound
(8S,8aR,11aS)-10-benzyl-N-(2-chloro-5-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
STL057778
SMILES O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)Cc1ccccc1)Nc1cc(ccc1Cl)[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 C28H21ClN4O5 MW 528.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN4O5/c29-20-11-10-18(33(37)38)14-21(20)30-26(34)25-23-22(24-19-9-5-4-8-17(19)12-13-31(24)25)27(35)32(28(23)36)15-16-6-2-1-3-7-16/h1-14,22-25H,15H2,(H,30,34)/t22-,23+,24?,25-/m0/s1InChIKey
NHIBTDIOQHRSIK-NPZNXQLHSA-NSynonyms
1013855-23-6(8S8aR11aS)10benzylN(2chloro5nitrophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
1013855236
C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)NC6=C(C=CC(=C6)(N+)(=O)(O))Cl
InChI=1SC28H21ClN4O5c2920111018(33(37)38)1421(20)3026(34)252322(2419954817(19)121331(24)25)27(35)32(28(23)36)15166213716h1142225H15H2(H3034)t2223+24?25m0s1
MFCD18249834
O=C((C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)Cc1ccccc1)Nc1cc(ccc1Cl)(N+)(=O)(O)
ZINC000001311061
ZINC000101129848
Check stock
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