Vitas-M small molecule compound
7-({[4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}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
STK397086
SMILES O=C1C(NC(=O)c2n(C)nc(c2Br)C(F)(F)F)C2N1C(=C(CS2)CSc1nnc(s1)C)C(=O)O
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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 C17H14BrF3N6O4S3 MW 599.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14BrF3N6O4S3/c1-5-23-24-16(34-5)33-4-6-3-32-14-8(13(29)27(14)9(6)15(30)31)22-12(28)10-7(18)11(17(19,20)21)25-26(10)2/h8,14H,3-4H2,1-2H3,(H,22,28)(H,30,31)InChIKey
MYAWRWVUDMJDSE-UHFFFAOYSA-NSynonyms
1213986-49-21213986492
7(((4bromo1methyl3(trifluoromethyl)1Hpyrazol5yl)carbonyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((4BROMO2METHYL5(TRIFLUOROMETHYL)PYRAZOLE3CARBONYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C4=C(C(=NN4C)C(F)(F)F)Br)SC2)C(=O)O
InChI=1SC17H14BrF3N6O4S3c15232416(345)3346332148(13(29)27(14)9(6)15(30)31)2212(28)107(18)11(17(1920)21)2526(10)2h814H34H212H3(H2228)(H3031)
MFCD04050159
ZINC000002785121
ZINC000002785124
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