Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-3'-[(2,5-dimethoxyphenyl)carbonyl]-2'-[(4-propylphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK573163
SMILES CCCc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2cc(OC)ccc2OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

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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 C38H34N2O5 MW 598.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H34N2O5/c1-4-9-23-14-16-25(17-15-23)34(41)32-33(35(42)28-22-26(44-2)18-19-31(28)45-3)40-21-20-24-10-5-6-11-27(24)36(40)38(32)29-12-7-8-13-30(29)39-37(38)43/h5-8,10-22,32-33,36H,4,9H2,1-3H3,(H,39,43)/t32-,33-,36+,38+/m0/s1
InChIKey
SPCYJVOFAKEOMG-DWBUDPMASA-N
Synonyms
1212162-86-1
(1S2S3S10bR)3(25dimethoxybenzoyl)2(4propylbenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3((25dimethoxyphenyl)carbonyl)2((4propylphenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(25dimethoxybenzoyl)2(4propylbenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212162861
CCCC1=CC=C(C=C1)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=C(C=CC(=C7)OC)OC
CCCc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)c2cc(OC)ccc2OC)N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2
InChI=1SC38H34N2O5c14923141625(171523)34(41)3233(35(42)282226(442)181931(28)453)4021202410561127(24)36(40)38(32)2912781330(29)3937(38)43h581022323336H49H213H3(H3943)t323336+38+m0s1
MFCD18158037
ZINC000101670340
ZINC101670340

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Available files

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