Vitas-M small molecule compound

ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-4-(naphthalen-1-yl)thiophene-3-carboxylate

Catalog ID
STK422989
SMILES CCOC(=O)c1c(scc1c1cccc2c1cccc2)NC(=O)c1c(C)onc1c1c(F)cccc1Cl

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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 C28H20ClFN2O4S MW 534.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClFN2O4S/c1-3-35-28(34)23-19(18-11-6-9-16-8-4-5-10-17(16)18)14-37-27(23)31-26(33)22-15(2)36-32-25(22)24-20(29)12-7-13-21(24)30/h4-14H,3H2,1-2H3,(H,31,33)
InChIKey
RJXZPHQIZKGVEX-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC=C1C2=CC=CC3=CC=CC=C32)NC(=O)C4=C(ON=C4C5=C(C=CC=C5Cl)F)C
ethyl2(((3(2chloro6fluorophenyl)5methyl12oxazol4yl)carbonyl)amino)4(naphthalen1yl)thiophene3carboxylate
ETHYL2(((3(2CHLORO6FLUOROPHENYL)5METHYL4ISOXAZOLYL)CARBONYL)AMINO)4(1NAPHTHYL)3THIOPHENECARBOXYLATE
ETHYL2((3(2CHLORO6FLUOROPHENYL)5METHYL12OXAZOLE4CARBONYL)AMINO)4NAPHTHALEN1YLTHIOPHENE3CARBOXYLATE
ETHYL2((3(2CHLORO6FLUOROPHENYL)5METHYLISOXAZOL4YL)CARBONYLAMINO)4NAPHTHYLTHIOPHENE3CARBOXYLATE
InChI=1SC28H20ClFN2O4Sc133528(34)2319(181169168451017(16)18)143727(23)3126(33)2215(2)363225(22)2420(29)1271321(24)30h414H3H212H3(H3133)
MFCD02373307
ZINC000002105653
ZINC02105653
ZINC2105653

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.