Vitas-M small molecule compound

(1'R,2'R)-2'-(3,4-dimethoxyphenyl)-1'-[(4-methoxyphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione

Catalog ID
STK547650
SMILES COc1ccc(cc1)C(=O)[C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccc(c(c1)OC)OC)C(=O)c1c(C2=O)cccc1

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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 C36H29NO6 MW 571.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H29NO6/c1-41-24-16-12-22(13-17-24)33(38)32-31(23-14-18-28(42-2)29(20-23)43-3)36(34(39)25-9-5-6-10-26(25)35(36)40)30-19-15-21-8-4-7-11-27(21)37(30)32/h4-20,30-32H,1-3H3/t30?,31-,32+/m0/s1
InChIKey
SWIKTGVFLMYNKU-XXWVNBFBSA-N
Synonyms

(1R2R)2(34dimethoxyphenyl)1((4methoxyphenyl)carbonyl)12dihydro3aHspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R)2(34dimethoxyphenyl)1(4methoxybenzoyl)23adihydro1Hspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R)2(34dimethoxyphenyl)1(4methoxybenzoyl)spiro(23adihydro1Hpyrrolo(12a)quinoline32indene)13dione
COC1=CC=C(C=C1)C(=O)C2C(C3(C4N2C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6C3=O)C7=CC(=C(C=C7)OC)OC
COc1ccc(cc1)C(=O)(C@@H)1N2c3ccccc3C=CC2(C@@)2((C@H)1c1ccc(c(c1)OC)OC)C(=O)c1c(C2=O)cccc1
COc1ccc(cc1)C(=O)(C@@H)1N2c3ccccc3C=CC2C2((C@H)1c1ccc(c(c1)OC)OC)C(=O)c1c(C2=O)cccc1
InChI=1SC36H29NO6c14124161222(131724)33(38)3231(23141828(422)29(2023)433)36(34(39)259561026(25)35(36)40)301915218471127(21)37(30)32h4203032H13H3t30?3132+m0s1
ZINC000001294494
ZINC000102627344

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Available files

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