Vitas-M small molecule compound
4-[(3S)-2,2-dicyano-3-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)cyclopropyl]phenyl acetate
Catalog ID
STK547197
SMILES N#CC1(C#N)[C@H](C1c1ccc(cc1)OC(=O)C)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 C24H24N2O3 MW 388.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O3/c1-14(27)29-19-4-2-18(3-5-19)20-21(24(20,12-25)13-26)22(28)23-9-15-6-16(10-23)8-17(7-15)11-23/h2-5,15-17,20-21H,6-11H2,1H3/t15?,16?,17?,20?,21-,23?/m1/s1InChIKey
QEBXNHPUZZCFPR-DYLJKIONSA-NSynonyms
494793-02-1(4((3S)3(adamantane1carbonyl)22dicyanocyclopropyl)phenyl)acetate
4((3S)22dicyano3(tricyclo(3311~37~)dec1ylcarbonyl)cyclopropyl)phenylacetate
4((3S)3((3S5S7S)adamantane1carbonyl)22dicyanocyclopropyl)phenylacetate
494793021
CC(=O)OC1=CC=C(C=C1)C2C(C2(C#N)C#N)C(=O)C34CC5CC(C3)CC(C5)C4
InChI=1SC24H24N2O3c114(27)29194218(3519)2021(24(201225)1326)22(28)23915616(1023)817(715)1123h2515172021H611H21H3t15?16?17?20?2123?m1s1
MFCD18242335
N#CC1(C#N)(C@H)(C1c1ccc(cc1)OC(=O)C)C(=O)C12CC3CC(C2)CC(C1)C3
ZINC000004652934
ZINC000004652935
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