Vitas-M small molecule compound

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

Catalog ID
STK579004
SMILES COc1ccc(c(c1)OC)C(=O)[C@@H]1[C@@H](C(=O)c2cccc(c2)OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

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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/c1-42-23-11-8-10-22(19-23)32(39)31-30(33(40)26-16-15-24(43-2)20-29(26)44-3)36(27-13-6-7-14-28(27)37-35(36)41)34-25-12-5-4-9-21(25)17-18-38(31)34/h4-20,30-31,34H,1-3H3,(H,37,41)/t30-,31-,34+,36+/m0/s1
InChIKey
GJKPHDMNCVZQEB-UOWMXVQPSA-N
Synonyms
1212101-84-2
(1S2S3S10bR)2(24dimethoxybenzoyl)3(3methoxybenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)2((24dimethoxyphenyl)carbonyl)3((3methoxyphenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)2(24dimethoxybenzoyl)3(3methoxybenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212101842
COC1=CC(=C(C=C1)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC(=CC=C7)OC)OC
COc1ccc(c(c1)OC)C(=O)(C@@H)1(C@@H)(C(=O)c2cccc(c2)OC)N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2
InChI=1SC36H30N2O6c142231181022(1923)32(39)3130(33(40)26161524(432)2029(26)443)36(2713671428(27)3735(36)41)34251254921(25)171838(31)34h420303134H13H3(H3741)t303134+36+m0s1
MFCD18158157
ZINC000101672438
ZINC101672438

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Available files

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