Vitas-M small molecule compound
[2-({(2'S,3S,3'S,10b'R)-2'-[(4-methoxyphenyl)carbonyl]-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
STK590401
SMILES N#CCOc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)OC)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 C36H27N3O5 MW 581.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H27N3O5/c1-43-24-16-14-23(15-17-24)32(40)30-31(33(41)26-10-4-7-13-29(26)44-21-19-37)39-20-18-22-8-2-3-9-25(22)34(39)36(30)27-11-5-6-12-28(27)38-35(36)42/h2-18,20,30-31,34H,21H2,1H3,(H,38,42)/t30-,31-,34+,36+/m0/s1InChIKey
ACOPNLVBXTWJQM-UOWMXVQPSA-NSynonyms
1177963-46-0(2(((2S3S3S10bR)2((4methoxyphenyl)carbonyl)2oxo1223tetrahydro10bHspiro(indole31pyrrolo(21a)isoquinolin)3yl)carbonyl)phenoxy)acetonitrile
1177963460
2(2((1S2S3S10bR)2(4methoxybenzoyl)2oxo310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)3ylcarbonyl)phenoxy)acetonitrile
2(2((2S3S3S10bR)2(4methoxybenzoyl)2oxospiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)3carbonyl)phenoxy)acetonitrile
COC1=CC=C(C=C1)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC=CC=C7OCC#N
InChI=1SC36H27N3O5c14324161423(151724)32(40)3031(33(41)2610471329(26)44211937)39201822823925(22)34(39)36(30)2711561228(27)3835(36)42h21820303134H21H21H3(H3842)t303134+36+m0s1
MFCD08284526
N#CCOc1ccccc1C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1ccc(cc1)OC)C(=O)Nc1c2cccc1)cccc3
ZINC000101382995
ZINC101382995
Check stock
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Check stock on Vitas-MAvailable files
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