Vitas-M small molecule compound
4-[(8R,8aS,11aR)-8-[(4-chlorophenyl)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
STK551454
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)c2ccc(cc2)Cl)N=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 C28H20ClN3O5 MW 513.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClN3O5/c1-15(33)37-20-12-10-19(11-13-20)31-27(35)22-23(28(31)36)25(26(34)16-6-8-18(29)9-7-16)32-24(22)21-5-3-2-4-17(21)14-30-32/h2-14,22-25H,1H3/t22-,23+,24?,25-/m1/s1InChIKey
LRQWNUKZBMIJTI-DVMHTGGUSA-NSynonyms
1014062-06-61014062066
4((8R8aS11aR)8((4chlorophenyl)carbonyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazin10(11H)yl)phenylacetate
4((8R8aS11aR)8(4chlorobenzoyl)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)Cl
CC(=O)Oc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1N((C@H)2C(=O)c2ccc(cc2)Cl)N=Cc2c1cccc2
InChI=1SC28H20ClN3O5c115(33)3720121019(111320)3127(35)2223(28(31)36)25(26(34)166818(29)9716)3224(22)21532417(21)143032h2142225H1H3t2223+24?25m1s1
MFCD18242588
ZINC000009428506
ZINC000009428507
Check stock
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Check stock on Vitas-MAvailable files
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