Vitas-M small molecule compound
7-({[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK305584
SMILES Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cn1nc(c(c1C1CC1)Cl)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 C20H18ClF3N6O4S3 MW 595.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClF3N6O4S3/c1-7-26-27-19(37-7)36-6-9-5-35-17-12(16(32)30(17)14(9)18(33)34)25-10(31)4-29-13(8-2-3-8)11(21)15(28-29)20(22,23)24/h8,12,17H,2-6H2,1H3,(H,25,31)(H,33,34)InChIKey
DBTGUDUHWMRTEM-UHFFFAOYSA-NSynonyms
1214111-70-21214111702
7(((4chloro5cyclopropyl3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((2(4CHLORO5CYCLOPROPYL3(TRIFLUOROMETHYL)PYRAZOL1YL)ACETYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C(=C(C(=N4)C(F)(F)F)Cl)C5CC5)SC2)C(=O)O
InChI=1SC20H18ClF3N6O4S3c17262719(377)36695351712(16(32)30(17)14(9)18(33)34)2510(31)42913(8238)11(21)15(2829)20(2223)24h81217H26H21H3(H2531)(H3334)
MFCD04045882
ZINC000002786830
ZINC000002786833
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