Vitas-M small molecule compound
4-[(8R,8aS,11aR)-8-[(4-methoxyphenyl)carbonyl]-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
STK552424
SMILES COc1ccc(cc1)C(=O)[C@H]1[C@H]2C(=O)N(C(=O)[C@H]2C2N1N=Cc1c2cccc1)c1ccc(cc1)OC(=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 C29H23N3O6 MW 509.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O6/c1-16(33)38-21-13-9-19(10-14-21)31-28(35)23-24(29(31)36)26(27(34)17-7-11-20(37-2)12-8-17)32-25(23)22-6-4-3-5-18(22)15-30-32/h3-15,23-26H,1-2H3/t23-,24+,25?,26-/m1/s1InChIKey
HLPRRBIWIWONLV-BTUDYTORSA-NSynonyms
1014102-51-21014102512
4((8R8aS11aR)8((4methoxyphenyl)carbonyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazin10(11H)yl)phenylacetate
4((8R8aS11aR)8(4methoxybenzoyl)911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazin10(11bH)yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)C6=CC=C(C=C6)OC
COc1ccc(cc1)C(=O)(C@H)1(C@H)2C(=O)N(C(=O)(C@H)2C2N1N=Cc1c2cccc1)c1ccc(cc1)OC(=O)C
InChI=1SC29H23N3O6c116(33)382113919(101421)3128(35)2324(29(31)36)26(27(34)1771120(372)12817)3225(23)22643518(22)153032h3152326H12H3t2324+25?26m1s1
MFCD18242649
ZINC000100965701
ZINC000100965704
Check stock
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Check stock on Vitas-MAvailable files
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