Vitas-M small molecule compound

(2'R,3'R)-2'-(2,3-dimethoxyphenyl)-3'-(phenylcarbonyl)-2',3'-dihydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-1,3-dione

Catalog ID
STK549292
SMILES COc1c(OC)cccc1[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2

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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 C34H26N2O5 MW 542.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H26N2O5/c1-40-26-18-10-17-25(30(26)41-2)27-28(29(37)20-11-4-3-5-12-20)36-31(22-14-7-6-13-21(22)19-35-36)34(27)32(38)23-15-8-9-16-24(23)33(34)39/h3-19,27-28,31H,1-2H3/t27-,28+,31?/m0/s1
InChIKey
DDIMJNKTZYQTKJ-IJYUDYEVSA-N
Synonyms
1177809-99-2
(2R3R)2(23dimethoxyphenyl)3(phenylcarbonyl)23dihydro10bHspiro(indene21pyrrolo(21a)phthalazine)13dione
(2R3R)3benzoyl2(23dimethoxyphenyl)310bdihydro2Hspiro(indene21pyrrolo(21a)phthalazine)13dione
(2R3R)3benzoyl2(23dimethoxyphenyl)spiro(310bdihydro2Hpyrrolo(21a)phthalazine12indene)13dione
1177809992
COC1=CC=CC(=C1OC)C2C(N3C(C24C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6C=N3)C(=O)C7=CC=CC=C7
COc1c(OC)cccc1(C@H)1(C@H)(C(=O)c2ccccc2)N2C((C@@)31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2
COc1c(OC)cccc1(C@H)1(C@H)(C(=O)c2ccccc2)N2C(C31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2
InChI=1SC34H26N2O5c1402618101725(30(26)412)2728(29(37)20114351220)3631(2214761321(22)193536)34(27)32(38)2315891624(23)33(34)39h319272831H12H3t2728+31?m0s1
ZINC000100985842
ZINC000100985845

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Available files

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