Vitas-M small molecule compound
ethyl 5-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)amino]thiophene-3-carboxylate
Catalog ID
STK064539
SMILES CCOC(=O)c1c(NC(=O)C23CC4CC(C3)CC(C2)C4)sc(c1C)C(=O)Nc1ccccc1C(=O)OCC
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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 C29H34N2O6S MW 538.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O6S/c1-4-36-26(33)20-8-6-7-9-21(20)30-24(32)23-16(3)22(27(34)37-5-2)25(38-23)31-28(35)29-13-17-10-18(14-29)12-19(11-17)15-29/h6-9,17-19H,4-5,10-15H2,1-3H3,(H,30,32)(H,31,35)InChIKey
WLBYGGYGANATTM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OCC)C
CCOC(=O)c1c(NC(=O)C23CC4CC(C3)CC(C2)C4)sc(c1C)C(=O)Nc1ccccc1C(=O)OCC
ETHYL2(ADAMANTANE1CARBONYLAMINO)5((2ETHOXYCARBONYLPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ethyl5((2(ethoxycarbonyl)phenyl)carbamoyl)4methyl2((tricyclo(3311~37~)dec1ylcarbonyl)amino)thiophene3carboxylate
InChI=1SC29H34N2O6Sc143626(33)20867921(20)3024(32)2316(3)22(27(34)3752)25(3823)3128(35)2913171018(1429)1219(1117)1529h691719H451015H213H3(H3032)(H3135)
MFCD01988844
STK064539
ZINC000100094465
ZINC100094465
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