Vitas-M small molecule compound
(2R,3R)-2-(3,4-dichlorophenyl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Catalog ID
STK667971
SMILES N#CC1(C#N)[C@@H](c2ccc(c(c2)Cl)Cl)[C@@H](N2C1c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3
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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 C31H27Cl2N3O MW 528.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27Cl2N3O/c32-24-6-5-22(12-25(24)33)26-27(29(37)30-13-18-9-19(14-30)11-20(10-18)15-30)36-8-7-21-3-1-2-4-23(21)28(36)31(26,16-34)17-35/h1-8,12,18-20,26-28H,9-11,13-15H2/t18?,19?,20?,26-,27+,28?,30?/m0/s1InChIKey
DTZLMLORPZAYTR-JJQZZEEMSA-NSynonyms
(2R3R)2(34dichlorophenyl)3(tricyclo(3311~37~)dec1ylcarbonyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2R3R)3(ADAMANTANE1CARBONYL)2(34DICHLOROPHENYL)310BDIHYDRO2HPYRROLO(21A)ISOQUINOLINE11DICARBONITRILE
C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C(C5N4C=CC6=CC=CC=C56)(C#N)C#N)C7=CC(=C(C=C7)Cl)Cl
InChI=1SC31H27Cl2N3Oc32246522(1225(24)33)2627(29(37)301318919(1430)1120(1018)1530)368721312423(21)28(36)31(261634)1735h181218202628H9111315H2t18?19?20?2627+28?30?m0s1
MFCD03108515
N#CC1(C#N)(C@@H)(c2ccc(c(c2)Cl)Cl)(C@@H)(N2C1c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3
ZINC000098001149
ZINC000098001150
Check stock
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