Vitas-M small molecule compound

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

Catalog ID
STK422996
SMILES CCCOC(=O)c1c(scc1c1ccc(cc1)C(C)C)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 C28H26ClFN2O4S MW 541.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClFN2O4S/c1-5-13-35-28(34)23-19(18-11-9-17(10-12-18)15(2)3)14-37-27(23)31-26(33)22-16(4)36-32-25(22)24-20(29)7-6-8-21(24)30/h6-12,14-15H,5,13H2,1-4H3,(H,31,33)
InChIKey
OAEFKJPLWSYKLF-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)C)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)F)C
InChI=1SC28H26ClFN2O4Sc15133528(34)2319(1811917(101218)15(2)3)143727(23)3126(33)2216(4)363225(22)2420(29)76821(24)30h6121415H513H214H3(H3133)
MFCD02245134
propyl2(((3(2chloro6fluorophenyl)5methyl12oxazol4yl)carbonyl)amino)4(4(propan2yl)phenyl)thiophene3carboxylate
PROPYL2(((3(2CHLORO6FLUOROPHENYL)5METHYL4ISOXAZOLYL)CARBONYL)AMINO)4(4ISOPROPYLPHENYL)3THIOPHENECARBOXYLATE
PROPYL2((3(2CHLORO6FLUOROPHENYL)5METHYL12OXAZOLE4CARBONYL)AMINO)4(4PROPAN2YLPHENYL)THIOPHENE3CARBOXYLATE
PROPYL2((3(2CHLORO6FLUOROPHENYL)5METHYLISOXAZOL4YL)CARBONYLAMINO)4(4(METHYLETHYL)PHENYL)THIOPHENE3CARBOXYLATE
ZINC000002107892
ZINC02107892
ZINC2107892

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Available files

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