Vitas-M small molecule compound
methyl 2-[(8R,8aR,11aS,11bS)-8-{[4-(acetyloxy)phenyl]carbonyl}-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]benzoate
Catalog ID
STK625451
SMILES COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)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 C31H24N2O7 MW 536.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24N2O7/c1-17(34)40-20-13-11-19(12-14-20)28(35)27-25-24(26-21-8-4-3-7-18(21)15-16-32(26)27)29(36)33(30(25)37)23-10-6-5-9-22(23)31(38)39-2/h3-16,24-27H,1-2H3/t24-,25+,26+,27+/m0/s1InChIKey
IWTMICZIXKDPOQ-FICKONGGSA-NSynonyms
1014022-31-11014022311
CC(=O)OC1=CC=C(C=C1)C(=O)C2C3C(C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC=CC=C6C(=O)OC
COC(=O)c1ccccc1N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@H)2C(=O)c2ccc(cc2)OC(=O)C)C=Cc2c1cccc2
InChI=1SC31H24N2O7c117(34)4020131119(121420)28(35)272524(2621843718(21)151632(26)27)29(36)33(30(25)37)231065922(23)31(38)392h3162427H12H3t2425+26+27+m0s1
methyl2((8R8aR11aS11bS)8((4(acetyloxy)phenyl)carbonyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)benzoate
methyl2((8R8aR11aS11bS)8(4acetoxybenzoyl)911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)benzoate
MFCD18246464
ZINC000101309986
ZINC101309986
Check stock
See real-time availability and sample size for STK625451 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.