Vitas-M small molecule compound
(3aR,4S,9aR,9bS)-2-(naphthalen-2-yl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Catalog ID
STK542694
SMILES N#CC1=C[C@H]2N(C=C1)[C@@H]([C@H]1[C@@H]2C(=O)N(C1=O)c1ccc2c(c1)cccc2)C(=O)c1ccccc1
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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 C28H19N3O3 MW 445.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19N3O3/c29-16-17-12-13-30-22(14-17)23-24(25(30)26(32)19-7-2-1-3-8-19)28(34)31(27(23)33)21-11-10-18-6-4-5-9-20(18)15-21/h1-15,22-25H/t22-,23-,24-,25+/m1/s1InChIKey
KLAWEBYNWWXFNG-VPBXCIAMSA-NSynonyms
1013824-09-3(3aR4S9aR9bS)2(naphthalen2yl)13dioxo4(phenylcarbonyl)233a49a9bhexahydro1Hpyrrolo(34a)indolizine8carbonitrile
(3aR4S9aR9bS)4benzoyl2(naphthalen2yl)13dioxo233a49a9bhexahydro1Hpyrrolo(34a)indolizine8carbonitrile
(3AR4S9AR9BS)4BENZOYL2NAPHTHALEN2YL13DIOXO3A49A9BTETRAHYDROPYRROLO(34A)INDOLIZINE8CARBONITRILE
1013824093
C1=CC=C(C=C1)C(=O)C2C3C(C4N2C=CC(=C4)C#N)C(=O)N(C3=O)C5=CC6=CC=CC=C6C=C5
InChI=1SC28H19N3O3c29161712133022(1417)2324(25(30)26(32)197213819)28(34)31(27(23)33)21111018645920(18)1521h1152225Ht22232425+m1s1
MFCD18242017
N#CC1=C(C@H)2N(C=C1)(C@@H)((C@H)1(C@@H)2C(=O)N(C1=O)c1ccc2c(c1)cccc2)C(=O)c1ccccc1
ZINC000020130518
ZINC20130518
Check stock
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Check stock on Vitas-MAvailable files
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