Vitas-M small molecule compound

propan-2-yl 4-cyano-5-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3-methylthiophene-2-carboxylate

Catalog ID
STK428279
SMILES N#Cc1c(sc(c1C)C(=O)OC(C)C)NC(=O)c1c(C)onc1c1c(Cl)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 C21H17Cl2N3O4S MW 478.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl2N3O4S/c1-9(2)29-21(28)18-10(3)12(8-24)20(31-18)25-19(27)15-11(4)30-26-17(15)16-13(22)6-5-7-14(16)23/h5-7,9H,1-4H3,(H,25,27)
InChIKey
VXOKFOYXTYCGHV-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C#N)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C)C(=O)OC(C)C
InChI=1SC21H17Cl2N3O4Sc19(2)2921(28)1810(3)12(824)20(3118)2519(27)1511(4)302617(15)1613(22)65714(16)23h579H14H3(H2527)
METHYLETHYL5((3(26DICHLOROPHENYL)5METHYLISOXAZOL4YL)CARBONYLAMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
MFCD01337539
propan2yl4cyano5(((3(26dichlorophenyl)5methyl12oxazol4yl)carbonyl)amino)3methylthiophene2carboxylate
PROPAN2YL4CYANO5((3(26DICHLOROPHENYL)5METHYL12OXAZOLE4CARBONYL)AMINO)3METHYLTHIOPHENE2CARBOXYLATE
ZINC000002736409
ZINC02736409
ZINC2736409

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Available files

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