Vitas-M small molecule compound
methyl 2-methyl-4-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK777038
SMILES COC(=O)C1=C(C)NC(=O)C1(Nc1nc2c(s1)cc(cc2)S(=O)(=O)C)C(F)(F)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 C16H14F3N3O5S2 MW 449.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14F3N3O5S2/c1-7-11(12(23)27-2)15(13(24)20-7,16(17,18)19)22-14-21-9-5-4-8(29(3,25)26)6-10(9)28-14/h4-6H,1-3H3,(H,20,24)(H,21,22)InChIKey
BSIMPUWNCMDUGH-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=O)N1)(C(F)(F)F)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C(=O)OC
InChI=1SC16H14F3N3O5S2c1711(12(23)272)15(13(24)20716(1718)19)2214219548(29(325)26)610(9)2814h46H13H3(H2024)(H2122)
methyl2methyl4((6(methylsulfonyl)13benzothiazol2yl)amino)5oxo4(trifluoromethyl)45dihydro1Hpyrrole3carboxylate
METHYL2METHYL4((6METHYLSULFONYL13BENZOTHIAZOL2YL)AMINO)5OXO4(TRIFLUOROMETHYL)1HPYRROLE3CARBOXYLATE
MFCD05259900
ZINC000012402643
ZINC000012402644
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