Vitas-M small molecule compound

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

Catalog ID
STK331620
SMILES CCc1ccc(cc1)c1c(C)sc(c1C(=O)OC)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 C26H22ClFN2O4S MW 512.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClFN2O4S/c1-5-15-9-11-16(12-10-15)20-14(3)35-25(22(20)26(32)33-4)29-24(31)19-13(2)34-30-23(19)21-17(27)7-6-8-18(21)28/h6-12H,5H2,1-4H3,(H,29,31)
InChIKey
HNEBTSSOAFUJPO-UHFFFAOYSA-N
Synonyms

CCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)F)C)C
InChI=1SC26H22ClFN2O4Sc151591116(121015)2014(3)3525(22(20)26(32)334)2924(31)1913(2)343023(19)2117(27)76818(21)28h612H5H214H3(H2931)
methyl2(((3(2chloro6fluorophenyl)5methyl12oxazol4yl)carbonyl)amino)4(4ethylphenyl)5methylthiophene3carboxylate
METHYL2(((3(2CHLORO6FLUOROPHENYL)5METHYL4ISOXAZOLYL)CARBONYL)AMINO)4(4ETHYLPHENYL)5METHYL3THIOPHENECARBOXYLATE
METHYL2((3(2CHLORO6FLUOROPHENYL)5METHYL12OXAZOLE4CARBONYL)AMINO)4(4ETHYLPHENYL)5METHYLTHIOPHENE3CARBOXYLATE
METHYL2((3(6CHLORO2FLUOROPHENYL)5METHYLISOXAZOL4YL)CARBONYLAMINO)4(4ETHYLPHENYL)5METHYLTHIOPHENE3CARBOXYLATE
MFCD02176392
ZINC000008455755
ZINC08455755
ZINC8455755

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Available files

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