Vitas-M small molecule compound
(8S,8aR,11aS)-N-(4-chlorophenyl)-10-(2-methyl-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
STK545168
SMILES Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)[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 C28H21ClN4O5 MW 528.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN4O5/c1-15-14-19(33(37)38)10-11-21(15)32-27(35)22-23(28(32)36)25(26(34)30-18-8-6-17(29)7-9-18)31-13-12-16-4-2-3-5-20(16)24(22)31/h2-14,22-25H,1H3,(H,30,34)/t22-,23+,24?,25-/m0/s1InChIKey
XVJOAUBMQQEVCZ-NPZNXQLHSA-NSynonyms
1014062-75-9(8S8aR11aS)N(4chlorophenyl)10(2methyl4nitrophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
1014062759
CC1=C(C=CC(=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)NC6=CC=C(C=C6)Cl
Clc1ccc(cc1)NC(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(cc1C)(N+)(=O)(O))cccc3
InChI=1SC28H21ClN4O5c1151419(33(37)38)101121(15)3227(35)2223(28(32)36)25(26(34)30188617(29)7918)31131216423520(16)24(22)31h2142225H1H3(H3034)t2223+24?25m0s1
MFCD18242203
ZINC000100875053
ZINC000100875057
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