Vitas-M small molecule compound
3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7-({[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL404009
SMILES OC(=O)C1=C(CSc2nnc(s2)C)CSC2N1C(=O)C2NC(=O)c1cc(n(n1)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 C17H15F3N6O4S3 MW 520.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15F3N6O4S3/c1-6-22-23-16(33-6)32-5-7-4-31-14-10(13(28)26(14)11(7)15(29)30)21-12(27)8-3-9(17(18,19)20)25(2)24-8/h3,10,14H,4-5H2,1-2H3,(H,21,27)(H,29,30)InChIKey
UBCVIZOUWJWXJW-UHFFFAOYSA-NSynonyms
1214811-07-01214811070
3(((5methyl134thiadiazol2yl)sulfanyl)methyl)7(((1methyl5(trifluoromethyl)1Hpyrazol3yl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)7((1METHYL5(TRIFLUOROMETHYL)PYRAZOLE3CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C4=NN(C(=C4)C(F)(F)F)C)SC2)C(=O)O
InChI=1SC17H15F3N6O4S3c16222316(336)32574311410(13(28)26(14)11(7)15(29)30)2112(27)839(17(1819)20)25(2)248h31014H45H212H3(H2127)(H2930)
MFCD04049167
ZINC000002784470
ZINC000002784473
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