Vitas-M small molecule compound

2'-(1,3-benzodioxol-5-ylcarbonyl)-1'-[(4-chlorophenyl)carbonyl]-7'-methyl-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

Catalog ID
STL057251
SMILES Clc1ccc(cc1)C(=O)C1N2c3ccc(cc3C=CC2C2(C1C(=O)c1ccc3c(c1)OCO3)C(=O)Nc1c2cccc1)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 C35H25ClN2O5 MW 589.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H25ClN2O5/c1-19-6-13-26-21(16-19)10-15-29-35(24-4-2-3-5-25(24)37-34(35)41)30(32(39)22-9-14-27-28(17-22)43-18-42-27)31(38(26)29)33(40)20-7-11-23(36)12-8-20/h2-17,29-31H,18H2,1H3,(H,37,41)
InChIKey
KYNAFIVCKHEGKW-UHFFFAOYSA-N
Synonyms

(1S2S3R3aR)2(benzo(d)(13)dioxole5carbonyl)1(4chlorobenzoyl)7methyl23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
2(13benzodioxol5ylcarbonyl)1((4chlorophenyl)carbonyl)7methyl12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
2(13benzodioxole5carbonyl)1(4chlorobenzoyl)7methylspiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
CC1=CC2=C(C=C1)N3C(C=C2)C4(C(C3C(=O)C5=CC=C(C=C5)Cl)C(=O)C6=CC7=C(C=C6)OCO7)C8=CC=CC=C8NC4=O
Clc1ccc(cc1)C(=O)(C@H)1N2c3ccc(cc3C=C(C@@H)2(C@)2((C@@H)1C(=O)c1ccc3c(c1)OCO3)C(=O)Nc1c2cccc1)C
InChI=1SC35H25ClN2O5c1196132621(1619)10152935(24423525(24)3734(35)41)30(32(39)229142728(1722)43184227)31(38(26)29)33(40)2071123(36)12820h2172931H18H21H3(H3741)
MFCD05737107
ZINC000102899318
ZINC000245246417

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Available files

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