Vitas-M small molecule compound

(2-{[(2'S,3S,3'S,10b'R)-2'-(1,3-benzodioxol-5-ylcarbonyl)-2-oxo-1,2,2',3'-tetrahydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-3'-yl]carbonyl}phenoxy)acetonitrile

Catalog ID
STK598789
SMILES N#CCOc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc4c(c1)OCO4)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 C36H25N3O6 MW 595.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H25N3O6/c37-16-18-43-27-12-6-3-9-24(27)33(41)31-30(32(40)22-13-14-28-29(19-22)45-20-44-28)36(25-10-4-5-11-26(25)38-35(36)42)34-23-8-2-1-7-21(23)15-17-39(31)34/h1-15,17,19,30-31,34H,18,20H2,(H,38,42)/t30-,31-,34+,36+/m0/s1
InChIKey
GNFYDEMOWDFGEM-UOWMXVQPSA-N
Synonyms
1177955-00-8
(2(((2S3S3S10bR)2(13benzodioxol5ylcarbonyl)2oxo1223tetrahydro10bHspiro(indole31pyrrolo(21a)isoquinolin)3yl)carbonyl)phenoxy)acetonitrile
1177955008
2(2((1S2S3S10bR)2(benzo(d)(13)dioxole5carbonyl)2oxo310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)3ylcarbonyl)phenoxy)acetonitrile
2(2((2S3S3S10bR)2(13benzodioxole5carbonyl)2oxospiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)3carbonyl)phenoxy)acetonitrile
C1OC2=C(O1)C=C(C=C2)C(=O)C3C(N4C=CC5=CC=CC=C5C4C36C7=CC=CC=C7NC6=O)C(=O)C8=CC=CC=C8OCC#N
InChI=1SC36H25N3O6c37161843271263924(27)33(41)3130(32(40)2213142829(1922)45204428)36(2510451126(25)3835(36)42)3423821721(23)151739(31)34h1151719303134H1820H2(H3842)t303134+36+m0s1
MFCD08284403
N#CCOc1ccccc1C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1ccc4c(c1)OCO4)C(=O)Nc1c2cccc1)cccc3
ZINC000101367013
ZINC101367013

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Available files

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