Vitas-M small molecule compound
(6aR,6bS,9aR,10S)-10-[(4-chlorophenyl)carbonyl]-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STK542100
SMILES Clc1ccc(cc1)C(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1c1ccccc1C=C2)c1ccc2c(c1)OCCO2
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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 C29H21ClN2O5 MW 512.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN2O5/c30-18-8-5-17(6-9-18)27(33)26-25-24(21-11-7-16-3-1-2-4-20(16)32(21)26)28(34)31(29(25)35)19-10-12-22-23(15-19)37-14-13-36-22/h1-12,15,21,24-26H,13-14H2/t21-,24-,25-,26+/m1/s1InChIKey
QHXNCYVBQBGUKT-MYCYEZBNSA-NSynonyms
1014088-36-8(6aR6bS9aR10S)10((4chlorophenyl)carbonyl)8(23dihydro14benzodioxin6yl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aR6bS9aR10S)10(4chlorobenzoyl)8(23dihydrobenzo(b)(14)dioxin6yl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
1014088368
C1COC2=C(O1)C=CC(=C2)N3C(=O)C4C5C=CC6=CC=CC=C6N5C(C4C3=O)C(=O)C7=CC=C(C=C7)Cl
Clc1ccc(cc1)C(=O)(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2(C@@H)2N1c1ccccc1C=C2)c1ccc2c(c1)OCCO2
InChI=1SC29H21ClN2O5c30188517(6918)27(33)262524(2111716312420(16)32(21)26)28(34)31(29(25)35)1910122223(1519)3714133622h11215212426H1314H2t21242526+m1s1
MFCD18241963
ZINC000100879886
ZINC100879886
Check stock
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Check stock on Vitas-MAvailable files
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