Vitas-M small molecule compound
4-[(8S,8aR,11aS)-8-[(4-chlorophenyl)carbamoyl]-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]phenyl acetate
Catalog ID
STK542672
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)Nc2ccc(cc2)Cl)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 C29H22ClN3O5 MW 527.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22ClN3O5/c1-16(34)38-21-12-10-20(11-13-21)33-28(36)23-24(29(33)37)26(27(35)31-19-8-6-18(30)7-9-19)32-15-14-17-4-2-3-5-22(17)25(23)32/h2-15,23-26H,1H3,(H,31,35)/t23-,24+,25?,26-/m0/s1InChIKey
DHKRHWZWPAELJD-HLMSNRGBSA-NSynonyms
956917-77-44((8S8aR11aS)8((4chlorophenyl)carbamoyl)911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)phenylacetate
4((8S8aR11aS)8((4chlorophenyl)carbamoyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)phenylacetate
956917774
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)NC6=CC=C(C=C6)Cl
CC(=O)Oc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)Nc2ccc(cc2)Cl)C=Cc2c1cccc2
InChI=1SC29H22ClN3O5c116(34)3821121020(111321)3328(36)2324(29(33)37)26(27(35)31198618(30)7919)32151417423522(17)25(23)32h2152326H1H3(H3135)t2324+25?26m0s1
MFCD18242014
ZINC000100857444
ZINC000100857449
Check stock
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Check stock on Vitas-MAvailable files
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