Vitas-M small molecule compound
ethyl 1-[(3-bromo-4-methoxyphenyl)carbonyl]-3-cyano-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STL054294
SMILES CCOC(=O)C1(C#N)C(c2ccccc2)C(N2C1C=Cc1c2cccc1)C(=O)c1ccc(c(c1)Br)OC
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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 C30H25BrN2O4 MW 557.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25BrN2O4/c1-3-37-29(35)30(18-32)25-16-14-19-9-7-8-12-23(19)33(25)27(26(30)20-10-5-4-6-11-20)28(34)21-13-15-24(36-2)22(31)17-21/h4-17,25-27H,3H2,1-2H3InChIKey
XSZSFZKPYAXJIB-UHFFFAOYSA-NSynonyms
(1R2R3S3aS)ethyl1(3bromo4methoxybenzoyl)3cyano2phenyl1233atetrahydropyrrolo(12a)quinoline3carboxylate
CCOC(=O)(C@@)1(C#N)(C@@H)(c2ccccc2)(C@@H)(N2(C@H)1C=Cc1c2cccc1)C(=O)c1ccc(c(c1)Br)OC
CCOC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=CC=C4)C(=O)C5=CC(=C(C=C5)OC)Br)C#N
ethyl1((3bromo4methoxyphenyl)carbonyl)3cyano2phenyl1233atetrahydropyrrolo(12a)quinoline3carboxylate
ETHYL1(3BROMO4METHOXYBENZOYL)3CYANO2PHENYL23ADIHYDRO1HPYRROLO(12A)QUINOLINE3CARBOXYLATE
InChI=1SC30H25BrN2O4c133729(35)30(1832)251614199781223(19)33(25)27(26(30)20105461120)28(34)21131524(362)22(31)1721h4172527H3H212H3
MFCD05729610
ZINC000106019748
ZINC000245247807
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