Vitas-M small molecule compound
methyl 2-[9,11-dioxo-8-(thiophen-2-ylcarbonyl)-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
STL348286
SMILES COC(=O)c1c(sc(c1C)C)N1C(=O)C2C(C1=O)C(N1C2c2ccccc2C=C1)C(=O)c1cccs1
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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 C27H22N2O5S2 MW 518.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O5S2/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,1-3H3InChIKey
XRJPOPAWGLBWLU-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=CS6)C
COC(=O)c1c(sc(c1C)C)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1C2c2ccccc2C=C1)C(=O)c1cccs1
InChI=1SC27H22N2O5S2c11314(2)3626(18(13)27(33)343)2924(31)1920(25(29)32)22(23(30)1796123517)28111015745816(15)21(19)28h4121922H13H3
methyl2((8S8aR11aS)911dioxo8(thiophene2carbonyl)8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)45dimethylthiophene3carboxylate
methyl2(911dioxo8(thiophen2ylcarbonyl)8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)45dimethylthiophene3carboxylate
MFCD07207916
ZINC000016001696
ZINC000245312833
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