Vitas-M small molecule compound

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

Catalog ID
STK589324
SMILES CCCOc1ccccc1C(=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 C35H29N3O4 MW 555.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H29N3O4/c1-2-20-42-28-16-8-5-13-25(28)32(40)30-29(31(39)23-11-9-18-36-21-23)35(26-14-6-7-15-27(26)37-34(35)41)33-24-12-4-3-10-22(24)17-19-38(30)33/h3-19,21,29-30,33H,2,20H2,1H3,(H,37,41)/t29-,30-,33+,35+/m0/s1
InChIKey
BDZPJTAIFCPYQM-CXNUKBDRSA-N
Synonyms
1177941-42-2
(1S2S3S10bR)2nicotinoyl3(2propoxybenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3((2propoxyphenyl)carbonyl)2(pyridin3ylcarbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(2propoxybenzoyl)2(pyridine3carbonyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1177941422
CCCOC1=CC=CC=C1C(=O)C2C(C3(C4N2C=CC5=CC=CC=C45)C6=CC=CC=C6NC3=O)C(=O)C7=CN=CC=C7
CCCOc1ccccc1C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1cccnc1)C(=O)Nc1c2cccc1)cccc3
InChI=1SC35H29N3O4c1220422816851325(28)32(40)3029(31(39)2311918362123)35(2614671527(26)3734(35)41)332412431022(24)171938(30)33h31921293033H220H21H3(H3741)t293033+35+m0s1
MFCD08284471
ZINC000101375331
ZINC101375331

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Available files

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