Vitas-M small molecule compound
methyl 2-[8-(2,2-dimethylpropanoyl)-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
STL348127
SMILES COC(=O)c1c(sc(c1C)C)N1C(=O)C2C(C1=O)C1N(C2C(=O)C(C)(C)C)C=Cc2c1cccc2
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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 C27H28N2O5S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O5S/c1-13-14(2)35-25(17(13)26(33)34-6)29-23(31)18-19(24(29)32)21(22(30)27(3,4)5)28-12-11-15-9-7-8-10-16(15)20(18)28/h7-12,18-21H,1-6H3InChIKey
ICVOBUZHHHQLHR-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C(C)(C)C)C
COC(=O)c1c(sc(c1C)C)N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)C(C)(C)C)C=Cc2c1cccc2
InChI=1SC27H28N2O5Sc11314(2)3525(17(13)26(33)346)2923(31)1819(24(29)32)21(22(30)27(34)5)281211159781016(15)20(18)28h7121821H16H3
methyl2((8S8aR11aS)911dioxo8pivaloyl8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)45dimethylthiophene3carboxylate
methyl2(8(22dimethylpropanoyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)45dimethylthiophene3carboxylate
MFCD28032553
ZINC000016001461
ZINC000245310310
Check stock
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