Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-3'-[(3,4-dimethoxyphenyl)carbonyl]-2'-[(2-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK593151
SMILES COc1cc(ccc1OC)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1OC)C(=O)Nc1c2cccc1)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 C36H30N2O6 MW 586.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H30N2O6/c1-42-27-15-9-6-12-24(27)33(40)30-31(32(39)22-16-17-28(43-2)29(20-22)44-3)38-19-18-21-10-4-5-11-23(21)34(38)36(30)25-13-7-8-14-26(25)37-35(36)41/h4-20,30-31,34H,1-3H3,(H,37,41)/t30-,31-,34+,36+/m0/s1
InChIKey
OREUHWJXLLJEAM-UOWMXVQPSA-N
Synonyms
1212418-81-9
(1S2S3S10bR)3(34dimethoxybenzoyl)2(2methoxybenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3((34dimethoxyphenyl)carbonyl)2((2methoxyphenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(34dimethoxybenzoyl)2(2methoxybenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212418819
COC1=C(C=C(C=C1)C(=O)C2C(C3(C4N2C=CC5=CC=CC=C45)C6=CC=CC=C6NC3=O)C(=O)C7=CC=CC=C7OC)OC
COc1cc(ccc1OC)C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1ccccc1OC)C(=O)Nc1c2cccc1)cccc3
InChI=1SC36H30N2O6c1422715961224(27)33(40)3031(32(39)22161728(432)29(2022)443)3819182110451123(21)34(38)36(30)2513781426(25)3735(36)41h420303134H13H3(H3741)t303134+36+m0s1
MFCD18158422
ZINC000101670703
ZINC101670703

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Available files

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