Vitas-M small molecule compound
(2S)-2-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-3-(2,3,4-trimethoxyphenyl)cyclopropane-1,1-dicarbonitrile
Catalog ID
STK786709
SMILES COc1c(ccc(c1OC)OC)C1[C@@H](C1(C#N)C#N)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 C25H28N2O4 MW 420.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O4/c1-29-18-5-4-17(21(30-2)22(18)31-3)19-20(25(19,12-26)13-27)23(28)24-9-14-6-15(10-24)8-16(7-14)11-24/h4-5,14-16,19-20H,6-11H2,1-3H3/t14?,15?,16?,19?,20-,24?/m1/s1InChIKey
PDDXDBIOVRONDY-GEKFRZCCSA-NSynonyms
1087713-85-6(2S)2((3S5S7S)adamantane1carbonyl)3(234trimethoxyphenyl)cyclopropane11dicarbonitrile
(2S)2(adamantane1carbonyl)3(234trimethoxyphenyl)cyclopropane11dicarbonitrile
(2S)2(tricyclo(3311~37~)dec1ylcarbonyl)3(234trimethoxyphenyl)cyclopropane11dicarbonitrile
1087713856
COC1=C(C(=C(C=C1)C2C(C2(C#N)C#N)C(=O)C34CC5CC(C3)CC(C5)C4)OC)OC
COc1c(ccc(c1OC)OC)C1(C@@H)(C1(C#N)C#N)C(=O)C12CC3CC(C2)CC(C1)C3
InChI=1SC25H28N2O4c129185417(21(302)22(18)313)1920(25(191226)1327)23(28)24914615(1024)816(714)1124h4514161920H611H213H3t14?15?16?19?2024?m1s1
MFCD13372250
ZINC000004973892
ZINC000004973893
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