Vitas-M small molecule compound

(8S,8aR,11aS)-10-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-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
STK547471
SMILES Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)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 C28H20ClN3O5 MW 513.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClN3O5/c29-16-5-7-17(8-6-16)30-26(33)25-23-22(24-19-4-2-1-3-15(19)11-12-31(24)25)27(34)32(28(23)35)18-9-10-20-21(13-18)37-14-36-20/h1-13,22-25H,14H2,(H,30,33)/t22-,23+,24?,25-/m0/s1
InChIKey
KDWDLAAEGRKSBO-NPZNXQLHSA-N
Synonyms
1014040-73-3
(8S8aR11aS)10(13benzodioxol5yl)N(4chlorophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
(8S8aR11aS)10(benzo(d)(13)dioxol5yl)N(4chlorophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
1014040733
C1OC2=C(O1)C=C(C=C2)N3C(=O)C4C(C3=O)C(N5C4C6=CC=CC=C6C=C5)C(=O)NC7=CC=C(C=C7)Cl
Clc1ccc(cc1)NC(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3
InChI=1SC28H20ClN3O5c29165717(8616)3026(33)252322(2419421315(19)111231(24)25)27(34)32(28(23)35)189102021(1318)37143620h1132225H14H2(H3033)t2223+24?25m0s1
MFCD18242345
ZINC000013598395
ZINC000016037945

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Available files

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