Vitas-M small molecule compound
(8S,8aR,11aS)-N-(4-chlorophenyl)-10-(4-nitrophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Catalog ID
STK544640
SMILES Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)[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 C27H19ClN4O5 MW 514.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19ClN4O5/c28-16-5-7-17(8-6-16)29-25(33)24-22-21(23-20-4-2-1-3-15(20)13-14-30(23)24)26(34)31(27(22)35)18-9-11-19(12-10-18)32(36)37/h1-14,21-24H,(H,29,33)/t21-,22+,23?,24-/m0/s1InChIKey
ZULPAKODZSFDPI-UZLDWMDBSA-NSynonyms
956929-62-7(8S8aR11aS)N(4chlorophenyl)10(4nitrophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
956929627
C1=CC=C2C3C4C(C(N3C=CC2=C1)C(=O)NC5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)(N+)(=O)(O)
Clc1ccc(cc1)NC(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(cc1)(N+)(=O)(O))cccc3
InChI=1SC27H19ClN4O5c28165717(8616)2925(33)242221(2320421315(20)131430(23)24)26(34)31(27(22)35)1891119(121018)32(36)37h1142124H(H2933)t2122+23?24m0s1
MFCD18242165
ZINC000016035251
ZINC000043710823
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