Vitas-M small molecule compound
4-(4-chlorophenyl)-2-[(4-methoxy-3-nitrobenzyl)sulfanyl]-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-imidazole
Catalog ID
STK665249
SMILES COc1ccc(cc1[N+](=O)[O-])CSc1nc(cn1C12CC3CC(C2)CC(C1)C3)c1ccc(cc1)Cl
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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 C27H28ClN3O3S MW 510.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O3S/c1-34-25-7-2-17(11-24(25)31(32)33)16-35-26-29-23(21-3-5-22(28)6-4-21)15-30(26)27-12-18-8-19(13-27)10-20(9-18)14-27/h2-7,11,15,18-20H,8-10,12-14,16H2,1H3InChIKey
FLYDQTSOEPIKPS-UHFFFAOYSA-NSynonyms
1(1adamantyl)4(4chlorophenyl)2((4methoxy3nitrophenyl)methylsulfanyl)imidazole
4((1ADAMANTANYL4(4CHLOROPHENYL)IMIDAZOL2YLTHIO)METHYL)1METHOXY2NITROBENZENE
4(4chlorophenyl)2((4methoxy3nitrobenzyl)sulfanyl)1(tricyclo(3311~37~)dec1yl)1Himidazole
COC1=C(C=C(C=C1)CSC2=NC(=CN2C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)Cl)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))CSc1nc(cn1C12CC3CC(C2)CC(C1)C3)c1ccc(cc1)Cl
InChI=1SC27H28ClN3O3Sc134257217(1124(25)31(32)33)1635262923(213522(28)6421)1530(26)271218819(1327)1020(918)1427h2711151820H810121416H21H3
MFCD08142679
ZINC000012371413
ZINC12371413
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