Vitas-M small molecule compound
methyl (1S,2S,3S)-2-(4-bromophenyl)-3-[(4-chlorophenyl)carbamoyl]-1-cyano-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxylate
Catalog ID
STK544366
SMILES COC(=O)[C@@]1(C#N)[C@H](c2ccc(cc2)Br)[C@H](N2C1c1ccccc1C=C2)C(=O)Nc1ccc(cc1)Cl
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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 C28H21BrClN3O3 MW 562.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21BrClN3O3/c1-36-27(35)28(16-31)23(18-6-8-19(29)9-7-18)24(26(34)32-21-12-10-20(30)11-13-21)33-15-14-17-4-2-3-5-22(17)25(28)33/h2-15,23-25H,1H3,(H,32,34)/t23-,24+,25?,28+/m1/s1InChIKey
HYBLWDOQGXPVGZ-JZDNALILSA-NSynonyms
(1S2S3S)methyl2(4bromophenyl)3((4chlorophenyl)carbamoyl)1cyano12310btetrahydropyrrolo(21a)isoquinoline1carboxylate
COC(=O)(C@@)1(C#N)(C@H)(c2ccc(cc2)Br)(C@H)(N2C1c1ccccc1C=C2)C(=O)Nc1ccc(cc1)Cl
COC(=O)C1(C(C(N2C1C3=CC=CC=C3C=C2)C(=O)NC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Br)C#N
InChI=1SC28H21BrClN3O3c13627(35)28(1631)23(186819(29)9718)24(26(34)3221121020(30)111321)33151417423522(17)25(28)33h2152325H1H3(H3234)t2324+25?28+m1s1
methyl(1S2S3S)2(4bromophenyl)3((4chlorophenyl)carbamoyl)1cyano12310btetrahydropyrrolo(21a)isoquinoline1carboxylate
methyl(1S2S3S)2(4bromophenyl)3((4chlorophenyl)carbamoyl)1cyano310bdihydro2Hpyrrolo(21a)isoquinoline1carboxylate
MFCD18242145
ZINC000001283090
ZINC000102438029
Check stock
See real-time availability and sample size for STK544366 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.