Vitas-M small molecule compound
4-[(8S,8aR,11aS,11bS)-8-acetyl-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazin-10(11H)-yl]phenyl acetate
Catalog ID
STK553623
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=N1)C(=O)C
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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/c1-12(27)20-18-19(21-17-6-4-3-5-14(17)11-24-26(20)21)23(30)25(22(18)29)15-7-9-16(10-8-15)31-13(2)28/h3-11,18-21H,1-2H3/t18-,19+,20-,21-/m1/s1InChIKey
QDCIHBJRANKPES-PLACYPQZSA-NSynonyms
958978-73-94((8S8aR11aS11bS)8acetyl911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazin10(11bH)yl)phenylacetate
4((8S8aR11aS11bS)8acetyl911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazin10(11H)yl)phenylacetate
958978739
CC(=O)C1C2C(C3N1N=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC=C(C=C5)OC(=O)C
CC(=O)Oc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1(C@@H)2c2ccccc2C=N1)C(=O)C
InChI=1SC23H19N3O5c112(27)201819(2117643514(17)112426(20)21)23(30)25(22(18)29)157916(10815)3113(2)28h3111821H12H3t1819+2021m1s1
MFCD18242729
ZINC000016039053
ZINC16039053
Check stock
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Check stock on Vitas-MAvailable files
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