Vitas-M small molecule compound

(2-{[(2'S,3S,3'S,10b'R)-2-oxo-2'-(pyridin-4-ylcarbonyl)-1,2,2',3'-tetrahydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-3'-yl]carbonyl}phenoxy)acetonitrile

Catalog ID
STK573752
SMILES N#CCOc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccncc1)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 C34H24N4O4 MW 552.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H24N4O4/c35-16-20-42-27-12-6-3-9-24(27)31(40)29-28(30(39)22-13-17-36-18-14-22)34(25-10-4-5-11-26(25)37-33(34)41)32-23-8-2-1-7-21(23)15-19-38(29)32/h1-15,17-19,28-29,32H,20H2,(H,37,41)/t28-,29-,32+,34+/m0/s1
InChIKey
ZAZCTYJSEIKFAA-GGKJBDKJSA-N
Synonyms
1177713-59-5
(2(((2S3S3S10bR)2oxo2(pyridin4ylcarbonyl)1223tetrahydro10bHspiro(indole31pyrrolo(21a)isoquinolin)3yl)carbonyl)phenoxy)acetonitrile
1177713595
2(2((1S2S3S10bR)2isonicotinoyl2oxo310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)3ylcarbonyl)phenoxy)acetonitrile
2(2((2S3S3S10bR)2oxo2(pyridine4carbonyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)3carbonyl)phenoxy)acetonitrile
C1=CC=C2C3C4(C(C(N3C=CC2=C1)C(=O)C5=CC=CC=C5OCC#N)C(=O)C6=CC=NC=C6)C7=CC=CC=C7NC4=O
InChI=1SC34H24N4O4c35162042271263924(27)31(40)2928(30(39)22131736181422)34(2510451126(25)3733(34)41)3223821721(23)151938(29)32h1151719282932H20H2(H3741)t282932+34+m0s1
MFCD08284432
N#CCOc1ccccc1C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1ccncc1)C(=O)Nc1c2cccc1)cccc3
ZINC000101370437
ZINC101370437

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Available files

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