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Vitas-M small molecule compound

ethyl 5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-methyl-2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)amino]thiophene-3-carboxylate

Catalog ID
STK003548
SMILES CCOC(=O)c1c(NC(=O)C23CC4CC(C3)CC(C2)C4)sc(c1C)C(=O)Nc1cc(ccc1Cl)C(F)(F)F

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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 C27H28ClF3N2O4S MW 569.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClF3N2O4S/c1-3-37-24(35)20-13(2)21(22(34)32-19-9-17(27(29,30)31)4-5-18(19)28)38-23(20)33-25(36)26-10-14-6-15(11-26)8-16(7-14)12-26/h4-5,9,14-16H,3,6-8,10-12H2,1-2H3,(H,32,34)(H,33,36)
InChIKey
RWMGNDCKLOQZRW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)NC(=O)C34CC5CC(C3)CC(C5)C4
CCOC(=O)c1c(NC(=O)C23CC4CC(C3)CC(C2)C4)sc(c1C)C(=O)Nc1cc(ccc1Cl)C(F)(F)F
ETHYL2((1ADAMANTYLCARBONYL)AMINO)5((2CHLORO5(TRIFLUOROMETHYL)ANILINO)CARBONYL)4METHYL3THIOPHENECARBOXYLATE
ETHYL2(ADAMANTANE1CARBONYLAMINO)5((2CHLORO5(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2(ADAMANTANYLCARBONYLAMINO)5(N(2CHLORO5(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ethyl5((2chloro5(trifluoromethyl)phenyl)carbamoyl)4methyl2((tricyclo(3311~37~)dec1ylcarbonyl)amino)thiophene3carboxylate
InChI=1SC27H28ClF3N2O4Sc133724(35)2013(2)21(22(34)3219917(27(2930)31)4518(19)28)3823(20)3325(36)261014615(1126)816(714)1226h4591416H3681012H212H3(H3234)(H3336)
MFCD01874726
STK003548
ZINC000008426533
ZINC08426533
ZINC8426533

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Available files

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