Vitas-M small molecule compound
(2-{[(2'S,3S,3'S,10b'R)-2-oxo-2'-(thiophen-2-ylcarbonyl)-1,2,2',3'-tetrahydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-3'-yl]carbonyl}phenoxy)acetonitrile
Catalog ID
STK585363
SMILES N#CCOc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccs1)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 C33H23N3O4S MW 557.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H23N3O4S/c34-16-18-40-25-13-6-3-10-22(25)29(37)28-27(30(38)26-14-7-19-41-26)33(23-11-4-5-12-24(23)35-32(33)39)31-21-9-2-1-8-20(21)15-17-36(28)31/h1-15,17,19,27-28,31H,18H2,(H,35,39)/t27-,28-,31+,33+/m0/s1InChIKey
WGULFGCFYXTDSR-TVNXZVQQSA-NSynonyms
1177904-79-8(2(((2S3S3S10bR)2oxo2(thiophen2ylcarbonyl)1223tetrahydro10bHspiro(indole31pyrrolo(21a)isoquinolin)3yl)carbonyl)phenoxy)acetonitrile
1177904798
2(2((1S2S3S10bR)2oxo2(thiophene2carbonyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)3ylcarbonyl)phenoxy)acetonitrile
2(2((2S3S3S10bR)2oxo2(thiophene2carbonyl)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=CS6)C7=CC=CC=C7NC4=O
InChI=1SC33H23N3O4Sc341618402513631022(25)29(37)2827(30(38)26147194126)33(2311451224(23)3532(33)39)3121921820(21)151736(28)31h1151719272831H18H2(H3539)t272831+33+m0s1
MFCD08284524
N#CCOc1ccccc1C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1cccs1)C(=O)Nc1c2cccc1)cccc3
ZINC000101382967
ZINC101382967
Check stock
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