Vitas-M small molecule compound
(8R,8aS,11aR)-N-(4-chlorophenyl)-10-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxamide
Catalog ID
STK548995
SMILES COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)Nc2ccc(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 C27H21ClN4O4 MW 500.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN4O4/c1-36-19-12-10-18(11-13-19)31-26(34)21-22(27(31)35)24(25(33)30-17-8-6-16(28)7-9-17)32-23(21)20-5-3-2-4-15(20)14-29-32/h2-14,21-24H,1H3,(H,30,33)/t21-,22+,23?,24-/m1/s1InChIKey
SOZZZIROBLNBEK-MBDJBHLASA-NSynonyms
1014103-91-3(8R8aS11aR)N(4chlorophenyl)10(4methoxyphenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine8carboxamide
1014103913
COC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)NC6=CC=C(C=C6)Cl
COc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1N((C@H)2C(=O)Nc2ccc(cc2)Cl)N=Cc2c1cccc2
InChI=1SC27H21ClN4O4c13619121018(111319)3126(34)2122(27(31)35)24(25(33)30178616(28)7917)3223(21)20532415(20)142932h2142124H1H3(H3033)t2122+23?24m1s1
MFCD18242450
ZINC000009427555
ZINC000009427556
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