Vitas-M small molecule compound

3-methyl-N-{[2-(pentafluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}butanamide

Catalog ID
STK063003
SMILES CC(CC(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1c(F)c(F)c(c(c1F)F)F)C

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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 C19H14F5N3O2S MW 443.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14F5N3O2S/c1-7(2)5-11(28)27-19(30)25-8-3-4-10-9(6-8)26-18(29-10)12-13(20)15(22)17(24)16(23)14(12)21/h3-4,6-7H,5H2,1-2H3,(H2,25,27,28,30)
InChIKey
VOXHDUBUDZOBBI-UHFFFAOYSA-N
Synonyms
590395-31-6
3methylN((2(23456pentafluorophenyl)13benzoxazol5yl)carbamothioyl)butanamide
3METHYLN((2(PENTAFLUOROPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)BUTANAMIDE
590395316
BUTANAMIDE3METHYLN(((2(PENTAFLUOROPHENYL)5BENZOXAZOLYL)AMINO)THIOXOMETHYL)
BUTANAMIDE3METHYLN(((25BENZOXAZOLYL)AMINO)THIOXOMETHYL)
CC(C)CC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=C(C(=C(C(=C3F)F)F)F)F
CC(CC(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1c(F)c(F)c(c(c1F)F)F)C
InChI=1SC19H14F5N3O2Sc17(2)511(28)2719(30)25834109(68)2618(2910)1213(20)15(22)17(24)16(23)14(12)21h3467H5H212H3(H225272830)
MFCD03834912
STK063003
ZINC000003770776
ZINC03770776
ZINC3770776

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Available files

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