Vitas-M small molecule compound

(8S,8aR,11aS)-N-(2-chloro-5-nitrophenyl)-10-cyclohexyl-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
STL057060
SMILES O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)C1CCCCC1)Nc1cc(ccc1Cl)[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 C27H25ClN4O5 MW 520.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN4O5/c28-19-11-10-17(32(36)37)14-20(19)29-25(33)24-22-21(23-18-9-5-4-6-15(18)12-13-30(23)24)26(34)31(27(22)35)16-7-2-1-3-8-16/h4-6,9-14,16,21-24H,1-3,7-8H2,(H,29,33)/t21-,22+,23?,24-/m0/s1
InChIKey
ODMPTMZAVMUCBV-UZLDWMDBSA-N
Synonyms
1013887-94-9
(8S8aR11aS)N(2chloro5nitrophenyl)10cyclohexyl911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
1013887949
C1CCC(CC1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)NC6=C(C=CC(=C6)(N+)(=O)(O))Cl
InChI=1SC27H25ClN4O5c2819111017(32(36)37)1420(19)2925(33)242221(2318954615(18)121330(23)24)26(34)31(27(22)35)167213816h46914162124H1378H2(H2933)t2122+23?24m0s1
MFCD18249787
O=C((C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)C1CCCCC1)Nc1cc(ccc1Cl)(N+)(=O)(O)
ZINC000001314272
ZINC000015998919

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Available files

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