Vitas-M small molecule compound

dimethyl 5-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)benzene-1,3-dicarboxylate

Catalog ID
STK072925
SMILES COC(=O)c1cc(cc(c1)C(=O)OC)NC(=O)c1c(C)onc1c1ccccc1Cl

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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 C21H17ClN2O6 MW 428.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O6/c1-11-17(18(24-30-11)15-6-4-5-7-16(15)22)19(25)23-14-9-12(20(26)28-2)8-13(10-14)21(27)29-3/h4-10H,1-3H3,(H,23,25)
InChIKey
RPLUZKVQVMPDLC-UHFFFAOYSA-N
Synonyms
310452-97-2
13DIMETHYL5(3(2CHLOROPHENYL)5METHYL12OXAZOLE4AMIDO)BENZENE13DICARBOXYLATE
310452972
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC
COC(=O)c1cc(cc(c1)C(=O)OC)NC(=O)c1c(C)onc1c1ccccc1Cl
DIMETHYL5(((3(2CHLOROPHENYL)5METHYL12OXAZOL4YL)CARBONYL)AMINO)BENZENE13DICARBOXYLATE
DIMETHYL5(((3(2CHLOROPHENYL)5METHYL4ISOXAZOLYL)CARBONYL)AMINO)ISOPHTHALATE
DIMETHYL5((3(2CHLOROPHENYL)5METHYL12OXAZOLE4CARBONYL)AMINO)BENZENE13DICARBOXYLATE
dimethyl5(3(2chlorophenyl)5methylisoxazole4carboxamido)isophthalate
InChI=1SC21H17ClN2O6c11117(18(243011)15645716(15)22)19(25)2314912(20(26)282)813(1014)21(27)293h410H13H3(H2325)
METHYL5((3(2CHLOROPHENYL)5METHYLISOXAZOL4YL)CARBONYLAMINO)3(METHOXYCARBONYL)BENZOATE
MFCD01214456
STK072925
ZINC000000663219
ZINC00663219
ZINC663219

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Available files

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