Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-2'-{[3-(prop-2-en-1-yloxy)phenyl]carbonyl}-3'-(pyridin-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK588466
SMILES C=CCOc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccn2)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 C35H27N3O4 MW 553.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H27N3O4/c1-2-20-42-24-12-9-11-23(21-24)31(39)29-30(32(40)28-16-7-8-18-36-28)38-19-17-22-10-3-4-13-25(22)33(38)35(29)26-14-5-6-15-27(26)37-34(35)41/h2-19,21,29-30,33H,1,20H2,(H,37,41)/t29-,30-,33+,35+/m0/s1
InChIKey
GIZBBBVZUSIZLB-CXNUKBDRSA-N
Synonyms
1177949-67-5
(1S2S3S10bR)2(3(allyloxy)benzoyl)3picolinoyl310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)2((3(prop2en1yloxy)phenyl)carbonyl)3(pyridin2ylcarbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)2(3prop2enoxybenzoyl)3(pyridine2carbonyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1177949675
C=CCOC1=CC=CC(=C1)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC=CC=N7
C=CCOc1cccc(c1)C(=O)(C@@H)1(C@@H)(C(=O)c2ccccn2)N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2
InChI=1SC35H27N3O4c122042241291123(2124)31(39)2930(32(40)281678183628)3819172210341325(22)33(38)35(29)2614561527(26)3734(35)41h21921293033H120H2(H3741)t293033+35+m0s1
MFCD08284481
ZINC000101312915
ZINC101312915

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Available files

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