Vitas-M small molecule compound

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

Catalog ID
STK539731
SMILES O=C1N(c2ccc3c(c2)OCCO3)C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccccc1)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 C29H22N2O5 MW 478.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O5/c32-27(18-7-2-1-3-8-18)26-25-24(21-12-10-17-6-4-5-9-20(17)31(21)26)28(33)30(29(25)34)19-11-13-22-23(16-19)36-15-14-35-22/h1-13,16,21,24-26H,14-15H2/t21-,24-,25-,26+/m1/s1
InChIKey
WHSDNEMTRUVGQV-MYCYEZBNSA-N
Synonyms
956157-69-0
(6aR6bS9aR10S)10benzoyl8(23dihydrobenzo(b)(14)dioxin6yl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aR6bS9aR10S)8(23dihydro14benzodioxin6yl)10(phenylcarbonyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
956157690
C1COC2=C(O1)C=CC(=C2)N3C(=O)C4C5C=CC6=CC=CC=C6N5C(C4C3=O)C(=O)C7=CC=CC=C7
InChI=1SC29H22N2O5c3227(187213818)262524(21121017645920(17)31(21)26)28(33)30(29(25)34)1911132223(1619)3615143522h11316212426H1415H2t21242526+m1s1
MFCD18241783
O=C1N(c2ccc3c(c2)OCCO3)C(=O)(C@@H)2(C@H)1(C@H)1C=Cc3c(N1(C@@H)2C(=O)c1ccccc1)cccc3
ZINC000009086462
ZINC09086462
ZINC9086462

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Available files

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