Vitas-M small molecule compound
methyl 2-[(8S,8aR,11aS,11bS)-8-carbamoyl-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
STL527220
SMILES COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)N)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 C23H19N3O5 MW 417.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O5/c1-31-23(30)14-8-4-5-9-15(14)26-21(28)16-17(22(26)29)19(20(24)27)25-11-10-12-6-2-3-7-13(12)18(16)25/h2-11,16-19H,1H3,(H2,24,27)/t16-,17+,18+,19-/m0/s1InChIKey
CMRUCAPWVGLMEN-MANSERQUSA-NSynonyms
957045-74-816397731
957045748
COC(=O)c1ccccc1N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)N)C=Cc2c1cccc2
InChI=1SC23H19N3O5c13123(30)14845915(14)2621(28)1617(22(26)29)19(20(24)27)25111012623713(12)18(16)25h2111619H1H3(H22427)t1617+18+19m0s1
methyl2((1~(S)11~(S)12~(R)16~(S))11carbamoyl1315dioxo1014diazatetracyclo(8600^(27)0^(1216))hexadeca2468tetraen14yl)benzoate
methyl2((8S8aR11aS11bS)8carbamoyl911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)benzoate
methyl2((8S8aR11aS11bS)8carbamoyl911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)benzoate
MFCD03266967
ZINC000016040936
ZINC16040936
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