Vitas-M small molecule compound

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

Catalog ID
STK593767
SMILES COc1ccc(c(c1)OC)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccc(c1)OC)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/c1-42-23-11-8-10-22(19-23)32(39)30-31(33(40)26-16-15-24(43-2)20-29(26)44-3)38-18-17-21-9-4-5-12-25(21)34(38)36(30)27-13-6-7-14-28(27)37-35(36)41/h4-20,30-31,34H,1-3H3,(H,37,41)/t30-,31-,34+,36+/m0/s1
InChIKey
BJPJUHPTPGEYRF-UOWMXVQPSA-N
Synonyms
1212415-81-0
(1S2S3S10bR)3(24dimethoxybenzoyl)2(3methoxybenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3((24dimethoxyphenyl)carbonyl)2((3methoxyphenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(24dimethoxybenzoyl)2(3methoxybenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212415810
COC1=CC(=C(C=C1)C(=O)C2C(C3(C4N2C=CC5=CC=CC=C45)C6=CC=CC=C6NC3=O)C(=O)C7=CC(=CC=C7)OC)OC
COc1ccc(c(c1)OC)C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1cccc(c1)OC)C(=O)Nc1c2cccc1)cccc3
InChI=1SC36H30N2O6c142231181022(1923)32(39)3031(33(40)26161524(432)2029(26)443)381817219451225(21)34(38)36(30)2713671428(27)3735(36)41h420303134H13H3(H3741)t303134+36+m0s1
MFCD18158439
ZINC000101671254
ZINC101671254

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Available files

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