Vitas-M small molecule compound
methyl 5-cyano-2-methyl-6-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK761268
SMILES COC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=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 C25H28N2O3S2 MW 468.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O3S2/c1-14-21(24(29)30-2)22(19-4-3-5-31-19)18(12-26)23(27-14)32-13-20(28)25-9-15-6-16(10-25)8-17(7-15)11-25/h3-5,15-17,22,27H,6-11,13H2,1-2H3InChIKey
CDIMGDMBXZATEM-UHFFFAOYSA-NSynonyms
309275-92-1309275921
CC1=C(C(C(=C(N1)SCC(=O)C23CC4CC(C2)CC(C4)C3)C#N)C5=CC=CS5)C(=O)OC
InChI=1SC25H28N2O3S2c11421(24(29)302)22(194353119)18(1226)23(2714)321320(28)25915616(1025)817(715)1125h3515172227H61113H212H3
methyl5cyano2methyl6((2oxo2(tricyclo(3311~37~)dec1yl)ethyl)sulfanyl)4(thiophen2yl)14dihydropyridine3carboxylate
methyl6((2((3r5r7r)adamantan1yl)2oxoethyl)thio)5cyano2methyl4(thiophen2yl)14dihydropyridine3carboxylate
METHYL6((2(1ADAMANTYL)2OXOETHYL)SULFANYL)5CYANO2METHYL4(2THIENYL)14DIHYDRO3PYRIDINECARBOXYLATE
METHYL6(2(1ADAMANTYL)2OXOETHYL)SULFANYL5CYANO2METHYL4THIOPHEN2YL14DIHYDROPYRIDINE3CARBOXYLATE
METHYL6(2ADAMANTANYL2OXOETHYLTHIO)5CYANO2METHYL4(2THIENYL)14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000019851524
ZINC000019851526
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