Vitas-M small molecule compound

methyl 4-(4-tert-butylphenyl)-2-{[(5-methyl-1,2-oxazol-4-yl)carbonyl]amino}thiophene-3-carboxylate

Catalog ID
STK441831
SMILES COC(=O)c1c(scc1c1ccc(cc1)C(C)(C)C)NC(=O)c1cnoc1C

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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 C21H22N2O4S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S/c1-12-15(10-22-27-12)18(24)23-19-17(20(25)26-5)16(11-28-19)13-6-8-14(9-7-13)21(2,3)4/h6-11H,1-5H3,(H,23,24)
InChIKey
FHNBCQUKFIQGSD-UHFFFAOYSA-N
Synonyms

CC1=C(C=NO1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC
InChI=1SC21H22N2O4Sc11215(10222712)18(24)231917(20(25)265)16(112819)136814(9713)21(23)4h611H15H3(H2324)
METHYL4(4(TERTBUTYL)PHENYL)2((5METHYLISOXAZOL4YL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
methyl4(4tertbutylphenyl)2(((5methyl12oxazol4yl)carbonyl)amino)thiophene3carboxylate
methyl4(4tertbutylphenyl)2((5methyl12oxazole4carbonyl)amino)thiophene3carboxylate
MFCD03900522
ZINC000017081503
ZINC17081503

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Available files

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