Vitas-M small molecule compound
(8S,8aR,11aS)-8-[(4-chlorophenyl)carbonyl]-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STK547647
SMILES COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc(cc2)Cl)N=Cc2c1cccc2)[N+](=O)[O-]
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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 C27H19ClN4O6 MW 530.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19ClN4O6/c1-38-20-11-10-17(32(36)37)12-19(20)30-26(34)21-22(27(30)35)24(25(33)14-6-8-16(28)9-7-14)31-23(21)18-5-3-2-4-15(18)13-29-31/h2-13,21-24H,1H3/t21-,22+,23?,24-/m0/s1InChIKey
PMDRROAUXZSIKJ-UZLDWMDBSA-NSynonyms
1014102-65-8(8S8aR11aS)8((4chlorophenyl)carbonyl)10(2methoxy5nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8S8aR11aS)8(4chlorobenzoyl)10(2methoxy5nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1014102658
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)C6=CC=C(C=C6)Cl
COc1ccc(cc1N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2ccc(cc2)Cl)N=Cc2c1cccc2)(N+)(=O)(O)
InChI=1SC27H19ClN4O6c13820111017(32(36)37)1219(20)3026(34)2122(27(30)35)24(25(33)146816(28)9714)3123(21)18532415(18)132931h2132124H1H3t2122+23?24m0s1
MFCD18242360
ZINC000100920179
ZINC000100920183
Check stock
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Check stock on Vitas-MAvailable files
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