Vitas-M small molecule compound

10-(3-chloro-4-fluorophenyl)-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
STK567975
SMILES O=C(C1N2C=Cc3c(C2C2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)F)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 C28H18ClF4N3O3 MW 555.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18ClF4N3O3/c29-19-13-17(8-9-20(19)30)36-26(38)21-22(27(36)39)24(35-11-10-14-4-1-2-7-18(14)23(21)35)25(37)34-16-6-3-5-15(12-16)28(31,32)33/h1-13,21-24H,(H,34,37)
InChIKey
UIOGEXJBGYNMDY-UHFFFAOYSA-N
Synonyms

(8S8aR11aS)10(3chloro4fluorophenyl)911dioxoN(3(trifluoromethyl)phenyl)8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
10(3chloro4fluorophenyl)911dioxoN(3(trifluoromethyl)phenyl)8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
C1=CC=C2C3C4C(C(N3C=CC2=C1)C(=O)NC5=CC=CC(=C5)C(F)(F)F)C(=O)N(C4=O)C6=CC(=C(C=C6)F)Cl
InChI=1SC28H18ClF4N3O3c29191317(8920(19)30)3626(38)2122(27(36)39)24(35111014412718(14)23(21)35)25(37)341663515(1216)28(3132)33h1132124H(H3437)
MFCD05724910
O=C((C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(c(c1)Cl)F)cccc3)Nc1cccc(c1)C(F)(F)F
ZINC000227019869
ZINC000245328222

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Available files

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