Vitas-M small molecule compound
(6aR,6bS,9aR,10S)-N-(4-chlorophenyl)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-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
STK544497
SMILES Clc1ccc(cc1)NC(=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 C29H22ClN3O5 MW 527.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22ClN3O5/c30-17-6-8-18(9-7-17)31-27(34)26-25-24(21-11-5-16-3-1-2-4-20(16)33(21)26)28(35)32(29(25)36)19-10-12-22-23(15-19)38-14-13-37-22/h1-12,15,21,24-26H,13-14H2,(H,31,34)/t21-,24-,25-,26+/m1/s1InChIKey
IXPJISRYLCCXIX-MYCYEZBNSA-NSynonyms
956746-65-9(6aR6bS9aR10S)N(4chlorophenyl)8(23dihydro14benzodioxin6yl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxamide
(6aR6bS9aR10S)N(4chlorophenyl)8(23dihydrobenzo(b)(14)dioxin6yl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxamide
956746659
C1COC2=C(O1)C=CC(=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)OCCO3)C=Cc1c2cccc1
InChI=1SC29H22ClN3O5c30176818(9717)3127(34)262524(2111516312420(16)33(21)26)28(35)32(29(25)36)1910122223(1519)3814133722h11215212426H1314H2(H3134)t21242526+m1s1
MFCD18242155
ZINC000100845042
ZINC100845042
Check stock
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Check stock on Vitas-MAvailable files
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