Vitas-M small molecule compound
(8S,8aR,11aS)-10-(3-nitrophenyl)-9,11-dioxo-N-[3-(trifluoromethyl)phenyl]-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Catalog ID
STL050581
SMILES O=C([C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])cccc3)Nc1cccc(c1)C(F)(F)F
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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 C28H19F3N4O5 MW 548.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19F3N4O5/c29-28(30,31)16-6-3-7-17(13-16)32-25(36)24-22-21(23-20-10-2-1-5-15(20)11-12-33(23)24)26(37)34(27(22)38)18-8-4-9-19(14-18)35(39)40/h1-14,21-24H,(H,32,36)/t21-,22+,23?,24-/m0/s1InChIKey
AWAVSSVWQXYSBA-UZLDWMDBSA-NSynonyms
1013837-79-0(8S8aR11aS)10(3nitrophenyl)911dioxoN(3(trifluoromethyl)phenyl)8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
1013837790
C1=CC=C2C3C4C(C(N3C=CC2=C1)C(=O)NC5=CC=CC(=C5)C(F)(F)F)C(=O)N(C4=O)C6=CC(=CC=C6)(N+)(=O)(O)
InChI=1SC28H19F3N4O5c2928(3031)1663717(1316)3225(36)242221(23201021515(20)111233(23)24)26(37)34(27(22)38)1884919(1418)35(39)40h1142124H(H3236)t2122+23?24m0s1
MFCD18249340
O=C((C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1cccc(c1)(N+)(=O)(O))cccc3)Nc1cccc(c1)C(F)(F)F
ZINC000101145322
ZINC000101145326
Check stock
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Check stock on Vitas-MAvailable files
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