Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-3'-[(3,4-dimethoxyphenyl)carbonyl]-2'-(pyridin-3-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK574041
SMILES COc1cc(ccc1OC)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccnc1)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 C34H27N3O5 MW 557.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H27N3O5/c1-41-26-14-13-21(18-27(26)42-2)31(39)29-28(30(38)22-9-7-16-35-19-22)34(24-11-5-6-12-25(24)36-33(34)40)32-23-10-4-3-8-20(23)15-17-37(29)32/h3-19,28-29,32H,1-2H3,(H,36,40)/t28-,29-,32+,34+/m0/s1
InChIKey
WUAODBBQPJEWPB-GGKJBDKJSA-N
Synonyms
1212149-42-2
(1S2S3S10bR)3(34dimethoxybenzoyl)2nicotinoyl310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3((34dimethoxyphenyl)carbonyl)2(pyridin3ylcarbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(34dimethoxybenzoyl)2(pyridine3carbonyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212149422
COC1=C(C=C(C=C1)C(=O)C2C(C3(C4N2C=CC5=CC=CC=C45)C6=CC=CC=C6NC3=O)C(=O)C7=CN=CC=C7)OC
COc1cc(ccc1OC)C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1cccnc1)C(=O)Nc1c2cccc1)cccc3
InChI=1SC34H27N3O5c14126141321(1827(26)422)31(39)2928(30(38)229716351922)34(2411561225(24)3633(34)40)32231043820(23)151737(29)32h319282932H12H3(H3640)t282932+34+m0s1
MFCD18158052
ZINC000101671955
ZINC101671955

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Available files

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