Vitas-M small molecule compound

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

Catalog ID
STK597271
SMILES COc1ccc(cc1)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 C35H28N2O5 MW 556.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H28N2O5/c1-41-24-16-14-22(15-17-24)31(38)29-30(32(39)23-9-7-10-25(20-23)42-2)37-19-18-21-8-3-4-11-26(21)33(37)35(29)27-12-5-6-13-28(27)36-34(35)40/h3-20,29-30,33H,1-2H3,(H,36,40)/t29-,30-,33+,35+/m0/s1
InChIKey
PUKLYKFPAPHFDD-CXNUKBDRSA-N
Synonyms
1212073-70-5
(1S2S3S10bR)3(3methoxybenzoyl)2(4methoxybenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3((3methoxyphenyl)carbonyl)2((4methoxyphenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(3methoxybenzoyl)2(4methoxybenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212073705
COC1=CC=C(C=C1)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC(=CC=C7)OC
COc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)c2cccc(c2)OC)N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2
InChI=1SC35H28N2O5c14124161422(151724)31(38)2930(32(39)23971025(2023)422)371918218341126(21)33(37)35(29)2712561328(27)3634(35)40h320293033H12H3(H3640)t293033+35+m0s1
MFCD18158523
ZINC000101672877
ZINC101672877

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Available files

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