Vitas-M small molecule compound

(8S,8aR,11aS)-N-(4-methoxyphenyl)-10-(4-methylphenyl)-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
STK595589
SMILES COc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C)cccc3

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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 C29H25N3O4 MW 479.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O4/c1-17-7-11-20(12-8-17)32-28(34)23-24(29(32)35)26(27(33)30-19-9-13-21(36-2)14-10-19)31-16-15-18-5-3-4-6-22(18)25(23)31/h3-16,23-26H,1-2H3,(H,30,33)/t23-,24+,25?,26-/m0/s1
InChIKey
ZWIHFEGCATXRJI-HLMSNRGBSA-N
Synonyms
1013817-95-2
(8S8aR11aS)N(4methoxyphenyl)10(4methylphenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
(8S8aR11aS)N(4methoxyphenyl)911dioxo10(ptolyl)8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
1013817952
CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)NC6=CC=C(C=C6)OC
COc1ccc(cc1)NC(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(cc1)C)cccc3
InChI=1SC29H25N3O4c11771120(12817)3228(34)2324(29(32)35)26(27(33)301991321(362)141019)31161518534622(18)25(23)31h3162326H12H3(H3033)t2324+25?26m0s1
MFCD18246022
ZINC000013758944
ZINC000015989290

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Available files

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