Vitas-M small molecule compound

(10'R,11'R)-10'-(2,3-dimethoxyphenyl)-11'-(phenylcarbonyl)-10',11'-dihydro-8a'H-spiro[indene-2,9'-pyrrolo[1,2-a][1,10]phenanthroline]-1,3-dione

Catalog ID
STL007960
SMILES COc1cccc(c1OC)[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2c2ncccc2cc1

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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 C38H28N2O5 MW 592.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H28N2O5/c1-44-28-16-8-15-27(35(28)45-2)30-33(34(41)24-10-4-3-5-11-24)40-29(38(30)36(42)25-13-6-7-14-26(25)37(38)43)20-19-23-18-17-22-12-9-21-39-31(22)32(23)40/h3-21,29-30,33H,1-2H3/t29?,30-,33+/m0/s1
InChIKey
YIXIEZKOHMTYHW-ZGYJYYMHSA-N
Synonyms

(10R11R)10(23dimethoxyphenyl)11(phenylcarbonyl)1011dihydro8aHspiro(indene29pyrrolo(12a)(110)phenanthroline)13dione
(10R11R)11benzoyl10(23dimethoxyphenyl)1011dihydro8aHspiro(indene29pyrrolo(12a)(110)phenanthroline)13dione
(10R11R)11benzoyl10(23dimethoxyphenyl)spiro(1011dihydro8aHpyrrolo(12a)(110)phenanthroline92indene)13dione
COC1=CC=CC(=C1OC)C2C(N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=C3C7=C(C=CC=N7)C=C6)C(=O)C8=CC=CC=C8
COc1cccc(c1OC)(C@H)1(C@H)(C(=O)c2ccccc2)N2C((C@@)31C(=O)c1c(C3=O)cccc1)C=Cc1c2c2ncccc2cc1
COc1cccc(c1OC)(C@H)1(C@H)(C(=O)c2ccccc2)N2C(C31C(=O)c1c(C3=O)cccc1)C=Cc1c2c2ncccc2cc1
InChI=1SC38H28N2O5c144281681527(35(28)452)3033(34(41)24104351124)4029(38(30)36(42)2513671426(25)37(38)43)201923181722129213931(22)32(23)40h321293033H12H3t29?3033+m0s1
MFCD18185393
ZINC000101673958
ZINC000101673961

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Available files

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