Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-3'-(2,2-dimethylpropanoyl)-2'-[(2-ethoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK577642
SMILES CCOc1ccccc1C(=O)[C@@H]1[C@H](N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C(=O)C(C)(C)C

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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 C33H32N2O4 MW 520.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N2O4/c1-5-39-25-17-11-8-14-22(25)28(36)26-27(30(37)32(2,3)4)35-19-18-20-12-6-7-13-21(20)29(35)33(26)23-15-9-10-16-24(23)34-31(33)38/h6-19,26-27,29H,5H2,1-4H3,(H,34,38)/t26-,27-,29+,33+/m0/s1
InChIKey
KMZWNAUVAXKANK-LMFMZMNVSA-N
Synonyms
1177829-76-3
(1S2S3S10bR)2(2ethoxybenzoyl)3pivaloyl310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3(22dimethylpropanoyl)2((2ethoxyphenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(22dimethylpropanoyl)2(2ethoxybenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1177829763
CCOC1=CC=CC=C1C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C(C)(C)C
CCOc1ccccc1C(=O)(C@@H)1(C@H)(N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C(=O)C(C)(C)C
InChI=1SC33H32N2O4c153925171181422(25)28(36)2627(30(37)32(23)4)3519182012671321(20)29(35)33(26)23159101624(23)3431(33)38h619262729H5H214H3(H3438)t262729+33+m0s1
MFCD18245587
ZINC000035851959
ZINC35851959

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Available files

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