Vitas-M small molecule compound

7-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}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
STK305696
SMILES Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(n1nc(c(c1C)Br)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 C19H18BrF3N6O4S3 MW 627.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrF3N6O4S3/c1-6-10(20)13(19(21,22)23)27-29(6)7(2)14(30)24-11-15(31)28-12(17(32)33)9(4-34-16(11)28)5-35-18-26-25-8(3)36-18/h7,11,16H,4-5H2,1-3H3,(H,24,30)(H,32,33)
InChIKey
RLXSGQJICSGHDE-UHFFFAOYSA-N
Synonyms
1214794-44-1
1214794441
7((2(4bromo5methyl3(trifluoromethyl)1Hpyrazol1yl)propanoyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7(2(4BROMO5METHYL3(TRIFLUOROMETHYL)PYRAZOL1YL)PROPANOYLAMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C(=NN1C(C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)C(F)(F)F)Br
InChI=1SC19H18BrF3N6O4S3c1610(20)13(19(2122)23)2729(6)7(2)14(30)241115(31)2812(17(32)33)9(43416(11)28)5351826258(3)3618h71116H45H213H3(H2430)(H3233)
MFCD04045884
ZINC000150393481
ZINC000226594745

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Available files

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