Vitas-M small molecule compound
4-[8-(1,3-benzodioxol-5-ylcarbamoyl)-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
STL346959
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)C2C(C1=O)C1N(C2C(=O)Nc2ccc3c(c2)OCO3)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 C30H23N3O7 MW 537.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23N3O7/c1-16(34)40-20-9-7-19(8-10-20)33-29(36)24-25(30(33)37)27(32-13-12-17-4-2-3-5-21(17)26(24)32)28(35)31-18-6-11-22-23(14-18)39-15-38-22/h2-14,24-27H,15H2,1H3,(H,31,35)InChIKey
UOCJTMWUBLXYND-UHFFFAOYSA-NSynonyms
4((8S8aR11aS)8(benzo(d)(13)dioxol5ylcarbamoyl)911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)phenylacetate
4(8(13benzodioxol5ylcarbamoyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)NC6=CC7=C(C=C6)OCO7
CC(=O)Oc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)Nc2ccc3c(c2)OCO3)C=Cc2c1cccc2
InChI=1SC30H23N3O7c116(34)40209719(81020)3329(36)2425(30(33)37)27(32131217423521(17)26(24)32)28(35)31186112223(1418)39153822h2142427H15H21H3(H3135)
MFCD07206646
ZINC000101184145
ZINC000245312343
Check stock
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Check stock on Vitas-MAvailable files
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