Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-2'-[(2,5-dimethoxyphenyl)carbonyl]-3'-[(4-methylphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK596965
SMILES COc1ccc(c(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)C)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)OC

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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 C36H30N2O5 MW 570.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H30N2O5/c1-21-12-14-23(15-13-21)32(39)31-30(33(40)26-20-24(42-2)16-17-29(26)43-3)36(27-10-6-7-11-28(27)37-35(36)41)34-25-9-5-4-8-22(25)18-19-38(31)34/h4-20,30-31,34H,1-3H3,(H,37,41)/t30-,31-,34+,36+/m0/s1
InChIKey
AVMJEHWRTVYLQJ-UOWMXVQPSA-N
Synonyms
1212356-86-9
(1S2S3S10bR)2(25dimethoxybenzoyl)3(4methylbenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)2((25dimethoxyphenyl)carbonyl)3((4methylphenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)2(25dimethoxybenzoyl)3(4methylbenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212356869
CC1=CC=C(C=C1)C(=O)C2C(C3(C4N2C=CC5=CC=CC=C45)C6=CC=CC=C6NC3=O)C(=O)C7=C(C=CC(=C7)OC)OC
COc1ccc(c(c1)C(=O)(C@@H)1(C@@H)(C(=O)c2ccc(cc2)C)N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2)OC
InChI=1SC36H30N2O5c121121423(151321)32(39)3130(33(40)262024(422)161729(26)433)36(2710671128(27)3735(36)41)3425954822(25)181938(31)34h420303134H13H3(H3741)t303134+36+m0s1
MFCD18158516
ZINC000101671507
ZINC101671507

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Available files

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