Vitas-M small molecule compound

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

Catalog ID
STK599805
SMILES COc1cc(ccc1OC)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccn1)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/c1-41-26-15-14-21(19-27(26)42-2)30(38)29-28(31(39)25-13-7-8-17-35-25)34(23-11-5-6-12-24(23)36-33(34)40)32-22-10-4-3-9-20(22)16-18-37(29)32/h3-19,28-29,32H,1-2H3,(H,36,40)/t28-,29-,32+,34+/m0/s1
InChIKey
JDYLPBHLJDLZSD-GGKJBDKJSA-N
Synonyms
1212228-12-0
(1S2S3S10bR)3(34dimethoxybenzoyl)2picolinoyl310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3((34dimethoxyphenyl)carbonyl)2(pyridin2ylcarbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(34dimethoxybenzoyl)2(pyridine2carbonyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212228120
COC1=C(C=C(C=C1)C(=O)C2C(C3(C4N2C=CC5=CC=CC=C45)C6=CC=CC=C6NC3=O)C(=O)C7=CC=CC=N7)OC
COc1cc(ccc1OC)C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1ccccn1)C(=O)Nc1c2cccc1)cccc3
InChI=1SC34H27N3O5c14126151421(1927(26)422)30(38)2928(31(39)251378173525)34(2311561224(23)3633(34)40)32221043920(22)161837(29)32h319282932H12H3(H3640)t282932+34+m0s1
MFCD18158579
ZINC000101670636
ZINC101670636

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Available files

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