Vitas-M small molecule compound
methyl 2-[(8S,8aR,11aS)-9,11-dioxo-8-(phenylcarbonyl)-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
STK589383
SMILES COC(=O)c1c(sc(c1C)C)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccccc2)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 C29H24N2O5S MW 512.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O5S/c1-15-16(2)37-28(20(15)29(35)36-3)31-26(33)21-22(27(31)34)24(25(32)18-10-5-4-6-11-18)30-14-13-17-9-7-8-12-19(17)23(21)30/h4-14,21-24H,1-3H3/t21-,22+,23?,24-/m0/s1InChIKey
FHMCZZDWRAVDQE-UZLDWMDBSA-NSynonyms
1013854-00-61013854006
CC1=C(SC(=C1C(=O)OC)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6)C
COC(=O)c1c(sc(c1C)C)N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2ccccc2)C=Cc2c1cccc2
InChI=1SC29H24N2O5Sc11516(2)3728(20(15)29(35)363)3126(33)2122(27(31)34)24(25(32)18105461118)301413179781219(17)23(21)30h4142124H13H3t2122+23?24m0s1
methyl2((8S8aR11aS)8benzoyl911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)45dimethylthiophene3carboxylate
methyl2((8S8aR11aS)911dioxo8(phenylcarbonyl)8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)45dimethylthiophene3carboxylate
MFCD18245856
ZINC000015996441
ZINC000035833151
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.