Vitas-M small molecule compound
3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7-({2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL405656
SMILES Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(n1nc(cc1C)C(F)(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 C19H19F3N6O4S3 MW 548.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19F3N6O4S3/c1-7-4-11(19(20,21)22)26-28(7)8(2)14(29)23-12-15(30)27-13(17(31)32)10(5-33-16(12)27)6-34-18-25-24-9(3)35-18/h4,8,12,16H,5-6H2,1-3H3,(H,23,29)(H,31,32)InChIKey
PQWDWFMGUGKHFZ-UHFFFAOYSA-NSynonyms
1214025-22-51214025225
3(((5methyl134thiadiazol2yl)sulfanyl)methyl)7((2(5methyl3(trifluoromethyl)1Hpyrazol1yl)propanoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(((5METHYL134THIADIAZOL2YL)THIO)METHYL)7((2(5METHYL3(TRIFLUOROMETHYL)1HPYRAZOL1YL)PROPANOYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)7(2(5METHYL3(TRIFLUOROMETHYL)PYRAZOL1YL)PROPANOYLAMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=CC(=NN1C(C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)C(F)(F)F
InChI=1SC19H19F3N6O4S3c17411(19(2021)22)2628(7)8(2)14(29)231215(30)2713(17(31)32)10(53316(12)27)6341825249(3)3518h481216H56H213H3(H2329)(H3132)
MFCD04137894
ZINC000002809381
ZINC000038154882
Check stock
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Check stock on Vitas-MAvailable files
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