Vitas-M small molecule compound
[(1R,2S,3R,3aR)-2-(4-bromophenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl](4-chlorophenyl)methanone
Catalog ID
STK541734
SMILES Clc1ccc(cc1)C(=O)[C@H]1[C@H](c2ccc(cc2)Br)[C@H]([C@@H]2N1c1ccccc1C=C2)[N+](=O)[O-]
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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 C25H18BrClN2O3 MW 509.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18BrClN2O3/c26-18-10-5-16(6-11-18)22-23(29(31)32)21-14-9-15-3-1-2-4-20(15)28(21)24(22)25(30)17-7-12-19(27)13-8-17/h1-14,21-24H/t21-,22-,23+,24-/m1/s1InChIKey
BVJVHLGHIWYVMX-JLLPCOHGSA-NSynonyms
956926-33-3((1R2S3R3aR)2(4bromophenyl)3nitro1233atetrahydropyrrolo(12a)quinolin1yl)(4chlorophenyl)methanone
956926333
C1=CC=C2C(=C1)C=CC3N2C(C(C3(N+)(=O)(O))C4=CC=C(C=C4)Br)C(=O)C5=CC=C(C=C5)Cl
Clc1ccc(cc1)C(=O)(C@H)1(C@H)(c2ccc(cc2)Br)(C@H)((C@@H)2N1c1ccccc1C=C2)(N+)(=O)(O)
InChI=1SC25H18BrClN2O3c261810516(61118)2223(29(31)32)2114915312420(15)28(21)24(22)25(30)1771219(27)13817h1142124Ht212223+24m1s1
MFCD18241930
ZINC000009019485
ZINC09019485
ZINC9019485
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