Vitas-M small molecule compound

(6aR,6bS,9aR,10S)-8-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide

Catalog ID
STK542674
SMILES Clc1ccc(cc1)NC(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCO3)C=Cc1c2cccc1

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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 C28H20ClN3O5 MW 513.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClN3O5/c29-16-6-8-17(9-7-16)30-26(33)25-24-23(20-11-5-15-3-1-2-4-19(15)32(20)25)27(34)31(28(24)35)18-10-12-21-22(13-18)37-14-36-21/h1-13,20,23-25H,14H2,(H,30,33)/t20-,23-,24-,25+/m1/s1
InChIKey
ITUCHGOHACVYAT-HVHOJJEHSA-N
Synonyms
956796-94-4
(6aR6bS9aR10S)8(13benzodioxol5yl)N(4chlorophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxamide
(6aR6bS9aR10S)8(benzo(d)(13)dioxol5yl)N(4chlorophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxamide
956796944
C1OC2=C(O1)C=C(C=C2)N3C(=O)C4C5C=CC6=CC=CC=C6N5C(C4C3=O)C(=O)NC7=CC=C(C=C7)Cl
Clc1ccc(cc1)NC(=O)(C@H)1N2(C@@H)((C@@H)3(C@H)1C(=O)N(C3=O)c1ccc3c(c1)OCO3)C=Cc1c2cccc1
InChI=1SC28H20ClN3O5c29166817(9716)3026(33)252423(2011515312419(15)32(20)25)27(34)31(28(24)35)1810122122(1318)37143621h113202325H14H2(H3033)t20232425+m1s1
MFCD18242015
ZINC000100845541
ZINC100845541

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Available files

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