Vitas-M small molecule compound

(6aR,6bS,9aR,10S)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-[(4-methoxyphenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione

Catalog ID
STK544539
SMILES COc1ccc(cc1)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)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 C30H24N2O6 MW 508.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N2O6/c1-36-20-10-6-18(7-11-20)28(33)27-26-25(22-12-8-17-4-2-3-5-21(17)32(22)27)29(34)31(30(26)35)19-9-13-23-24(16-19)38-15-14-37-23/h2-13,16,22,25-27H,14-15H2,1H3/t22-,25-,26-,27+/m1/s1
InChIKey
LIQTWWOKDRTPTE-WELLZUMNSA-N
Synonyms
956981-74-1
(6aR6bS9aR10S)8(23dihydro14benzodioxin6yl)10((4methoxyphenyl)carbonyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aR6bS9aR10S)8(23dihydrobenzo(b)(14)dioxin6yl)10(4methoxybenzoyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
956981741
COC1=CC=C(C=C1)C(=O)C2C3C(C4N2C5=CC=CC=C5C=C4)C(=O)N(C3=O)C6=CC7=C(C=C6)OCCO7
COc1ccc(cc1)C(=O)(C@H)1N2(C@@H)((C@@H)3(C@H)1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)C=Cc1c2cccc1
InChI=1SC30H24N2O6c1362010618(71120)28(33)272625(2212817423521(17)32(22)27)29(34)31(30(26)35)199132324(1619)3815143723h21316222527H1415H21H3t22252627+m1s1
MFCD18242158
ZINC000036006820
ZINC36006820

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Available files

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