Vitas-M small molecule compound

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

Catalog ID
STK422985
SMILES COC(=O)c1c(scc1c1ccc2c(c1)cccc2)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 C27H18ClFN2O4S MW 520.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClFN2O4S/c1-14-21(24(31-35-14)23-19(28)8-5-9-20(23)29)25(32)30-26-22(27(33)34-2)18(13-36-26)17-11-10-15-6-3-4-7-16(15)12-17/h3-13H,1-2H3,(H,30,32)
InChIKey
VYSWDVSGUKRTCX-UHFFFAOYSA-N
Synonyms

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=C(C(=CS3)C4=CC5=CC=CC=C5C=C4)C(=O)OC
InChI=1SC27H18ClFN2O4Sc11421(24(313514)2319(28)85920(23)29)25(32)302622(27(33)342)18(133626)17111015634716(15)1217h313H12H3(H3032)
methyl2(((3(2chloro6fluorophenyl)5methyl12oxazol4yl)carbonyl)amino)4(naphthalen2yl)thiophene3carboxylate
METHYL2(((3(2CHLORO6FLUOROPHENYL)5METHYL4ISOXAZOLYL)CARBONYL)AMINO)4(2NAPHTHYL)3THIOPHENECARBOXYLATE
METHYL2((3(2CHLORO6FLUOROPHENYL)5METHYL12OXAZOLE4CARBONYL)AMINO)4NAPHTHALEN2YLTHIOPHENE3CARBOXYLATE
METHYL2((3(2CHLORO6FLUOROPHENYL)5METHYLISOXAZOL4YL)CARBONYLAMINO)4(2NAPHTHYL)THIOPHENE3CARBOXYLATE
MFCD02245124
ZINC000002766857
ZINC02766857
ZINC2766857

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Available files

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