Vitas-M small molecule compound
methyl (Z)-3,3,3-trifluoro-2-{[(4-fluorophenyl)carbonyl]amino}-N-[6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]alaninate
Catalog ID
STK580713
SMILES COC(=O)C(C(F)(F)F)(/N=c/1\sc2c([nH]1)ccc(c2)S(=O)(=O)C)NC(=O)c1ccc(cc1)F
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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 C19H15F4N3O5S2 MW 505.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15F4N3O5S2/c1-31-16(28)18(19(21,22)23,25-15(27)10-3-5-11(20)6-4-10)26-17-24-13-8-7-12(33(2,29)30)9-14(13)32-17/h3-9H,1-2H3,(H,24,26)(H,25,27)InChIKey
BIWFZDYMHSPTLP-UHFFFAOYSA-NSynonyms
489419-55-8489419558
COC(=O)C(C(F)(F)F)(N=c1sc2c((nH)1)ccc(c2)S(=O)(=O)C)NC(=O)c1ccc(cc1)F
COC(=O)C(C(F)(F)F)(NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)NC(=O)C3=CC=C(C=C3)F
InChI=1SC19H15F4N3O5S2c13116(28)18(19(2122)232515(27)103511(20)6410)261724138712(33(229)30)914(13)3217h39H12H3(H2426)(H2527)
methyl(Z)333trifluoro2(((4fluorophenyl)carbonyl)amino)N(6(methylsulfonyl)13benzothiazol2(3H)ylidene)alaninate
METHYL333TRIFLUORO2((4FLUOROBENZOYL)AMINO)2((6(METHYLSULFONYL)13BENZOTHIAZOL2YL)AMINO)PROPANOATE
METHYL333TRIFLUORO2((4FLUOROBENZOYL)AMINO)2((6METHYLSULFONYL13BENZOTHIAZOL2YL)AMINO)PROPANOATE
MFCD07210703
ZINC000009015913
ZINC000009015914
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.