Vitas-M small molecule compound
ethyl (3aS,4R,9aS,9bR)-4-[(4-bromophenyl)carbonyl]-2-(naphthalen-1-yl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carboxylate
Catalog ID
STK538988
SMILES CCOC(=O)C1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1cccc2c1cccc2)C(=O)c1ccc(cc1)Br
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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 C30H23BrN2O5 MW 571.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23BrN2O5/c1-2-38-30(37)19-14-15-32-23(16-19)24-25(26(32)27(34)18-10-12-20(31)13-11-18)29(36)33(28(24)35)22-9-5-7-17-6-3-4-8-21(17)22/h3-16,23-26H,2H2,1H3/t23-,24-,25-,26+/m0/s1InChIKey
PSEPXSCJOICYKQ-ASDGIDEWSA-NSynonyms
(3aS4R9aS9bR)ethyl4(4bromobenzoyl)2(naphthalen1yl)13dioxo233a49a9bhexahydro1Hpyrrolo(34a)indolizine8carboxylate
CCOC(=O)C1=C(C@@H)2N(C=C1)(C@H)((C@@H)1(C@H)2C(=O)N(C1=O)c1cccc2c1cccc2)C(=O)c1ccc(cc1)Br
CCOC(=O)C1=CC2C3C(C(N2C=C1)C(=O)C4=CC=C(C=C4)Br)C(=O)N(C3=O)C5=CC=CC6=CC=CC=C65
ethyl(3aS4R9aS9bR)4((4bromophenyl)carbonyl)2(naphthalen1yl)13dioxo233a49a9bhexahydro1Hpyrrolo(34a)indolizine8carboxylate
ethyl(3aS4R9aS9bR)4(4bromobenzoyl)2naphthalen1yl13dioxo3a49a9btetrahydropyrrolo(34a)indolizine8carboxylate
InChI=1SC30H23BrN2O5c123830(37)1914153223(1619)2425(26(32)27(34)18101220(31)131118)29(36)33(28(24)35)2295717634821(17)22h3162326H2H21H3t23242526+m0s1
MFCD18241734
ZINC000102424398
ZINC102424398
Check stock
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Check stock on Vitas-MAvailable files
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