Vitas-M small molecule compound
methyl 2-[(8S,8aR,11aS)-8-(furan-2-ylcarbonyl)-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK599454
SMILES COC(=O)c1c(sc(c1C)C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1C2c2ccccc2C=C1)C(=O)c1ccco1
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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 C27H22N2O6S MW 502.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O6S/c1-13-14(2)36-26(18(13)27(33)34-3)29-24(31)19-20(25(29)32)22(23(30)17-9-6-12-35-17)28-11-10-15-7-4-5-8-16(15)21(19)28/h4-12,19-22H,1-3H3/t19-,20+,21?,22-/m0/s1InChIKey
XCAMFRMEKMLKNQ-PJEZACDQSA-NSynonyms
1212473-29-41212473294
CC1=C(SC(=C1C(=O)OC)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=CO6)C
COC(=O)c1c(sc(c1C)C)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1C2c2ccccc2C=C1)C(=O)c1ccco1
InChI=1SC27H22N2O6Sc11314(2)3626(18(13)27(33)343)2924(31)1920(25(29)32)22(23(30)1796123517)28111015745816(15)21(19)28h4121922H13H3t1920+21?22m0s1
methyl2((8S8aR11aS)8(furan2carbonyl)911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)45dimethylthiophene3carboxylate
methyl2((8S8aR11aS)8(furan2ylcarbonyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)45dimethylthiophene3carboxylate
MFCD18246113
ZINC000016033611
ZINC000020436252
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.