Vitas-M small molecule compound
7-({[4-bromo-3-(difluoromethyl)-5-methyl-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
STK384945
SMILES Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cn1nc(c(c1C)Br)C(F)F
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C18H17BrF2N6O4S3 MW 595.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrF2N6O4S3/c1-6-10(19)11(14(20)21)25-26(6)3-9(28)22-12-15(29)27-13(17(30)31)8(4-32-16(12)27)5-33-18-24-23-7(2)34-18/h12,14,16H,3-5H2,1-2H3,(H,22,28)(H,30,31)InChIKey
FIOGMPMACJQLAP-UHFFFAOYSA-NSynonyms
1214646-38-41214646384
7(((4bromo3(difluoromethyl)5methyl1Hpyrazol1yl)acetyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((2(4BROMO3(DIFLUOROMETHYL)5METHYLPYRAZOL1YL)ACETYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C(=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)C(F)F)Br
InChI=1SC18H17BrF2N6O4S3c1610(19)11(14(20)21)2526(6)39(28)221215(29)2713(17(30)31)8(43216(12)27)5331824237(2)3418h121416H35H212H3(H2228)(H3031)
MFCD04046464
ZINC000002788283
ZINC000002788286
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