Vitas-M small molecule compound

(8S,8aR,11aS)-10-(3,5-dichlorophenyl)-8-[(2,5-dimethoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione

Catalog ID
STK595459
SMILES COc1ccc(c(c1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(Cl)cc(c1)Cl)cccc3)OC

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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 C29H22Cl2N2O5 MW 549.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22Cl2N2O5/c1-37-19-7-8-22(38-2)21(14-19)27(34)26-24-23(25-20-6-4-3-5-15(20)9-10-32(25)26)28(35)33(29(24)36)18-12-16(30)11-17(31)13-18/h3-14,23-26H,1-2H3/t23-,24+,25?,26-/m0/s1
InChIKey
DFJHDWFMYHBMBT-HLMSNRGBSA-N
Synonyms
1014102-29-4
(8S8aR11aS)10(35dichlorophenyl)8((25dimethoxyphenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)10(35dichlorophenyl)8(25dimethoxybenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1014102294
COC1=CC(=C(C=C1)OC)C(=O)C2C3C(C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC(=CC(=C6)Cl)Cl
COc1ccc(c(c1)C(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1cc(Cl)cc(c1)Cl)cccc3)OC
InChI=1SC29H22Cl2N2O5c137197822(382)21(1419)27(34)262423(2520643515(20)91032(25)26)28(35)33(29(24)36)181216(30)1117(31)1318h3142326H12H3t2324+25?26m0s1
MFCD18246020
ZINC000101105956
ZINC000101105957

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Available files

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