Vitas-M small molecule compound
(8S,8aR,11aS)-N-(4-chloro-3-nitrophenyl)-10-(2-fluorophenyl)-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
STL055627
SMILES O=C([C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1F)cccc3)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 C27H18ClFN4O5 MW 532.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClFN4O5/c28-17-10-9-15(13-20(17)33(37)38)30-25(34)24-22-21(23-16-6-2-1-5-14(16)11-12-31(23)24)26(35)32(27(22)36)19-8-4-3-7-18(19)29/h1-13,21-24H,(H,30,34)/t21-,22+,23?,24-/m0/s1InChIKey
HHRJCHMGVPRDHW-UZLDWMDBSA-NSynonyms
1013885-73-8(8S8aR11aS)N(4chloro3nitrophenyl)10(2fluorophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
1013885738
C1=CC=C2C3C4C(C(N3C=CC2=C1)C(=O)NC5=CC(=C(C=C5)Cl)(N+)(=O)(O))C(=O)N(C4=O)C6=CC=CC=C6F
InChI=1SC27H18ClFN4O5c281710915(1320(17)33(37)38)3025(34)242221(2316621514(16)111231(23)24)26(35)32(27(22)36)19843718(19)29h1132124H(H3034)t2122+23?24m0s1
MFCD18249693
O=C((C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccccc1F)cccc3)Nc1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000101175925
ZINC000101175926
Check stock
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