Vitas-M small molecule compound
(8R,8aS,11aR)-N-(4-chlorophenyl)-10-(3-nitrophenyl)-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
STK551436
SMILES Clc1ccc(cc1)NC(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])cccc3
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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 C26H18ClN5O5 MW 515.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClN5O5/c27-15-8-10-16(11-9-15)29-24(33)23-21-20(22-19-7-2-1-4-14(19)13-28-31(22)23)25(34)30(26(21)35)17-5-3-6-18(12-17)32(36)37/h1-13,20-23H,(H,29,33)/t20-,21+,22?,23-/m1/s1InChIKey
AEDWNBWLDXDEKE-HNTVYWHESA-NSynonyms
1014060-63-9(8R8aS11aR)N(4chlorophenyl)10(3nitrophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine8carboxamide
1014060639
C1=CC=C2C3C4C(C(N3N=CC2=C1)C(=O)NC5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC(=CC=C6)(N+)(=O)(O)
Clc1ccc(cc1)NC(=O)(C@@H)1N2N=Cc3c(C2(C@H)2(C@@H)1C(=O)N(C2=O)c1cccc(c1)(N+)(=O)(O))cccc3
InChI=1SC26H18ClN5O5c271581016(11915)2924(33)232120(2219721414(19)132831(22)23)25(34)30(26(21)35)1753618(1217)32(36)37h1132023H(H2933)t2021+22?23m1s1
MFCD18242587
ZINC000100953208
ZINC000100953211
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