Vitas-M small molecule compound
7-({[4-chloro-5-methyl-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
STK384941
SMILES Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cn1nc(c(c1C)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 C18H16ClF3N6O4S3 MW 569.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClF3N6O4S3/c1-6-10(19)13(18(20,21)22)26-27(6)3-9(29)23-11-14(30)28-12(16(31)32)8(4-33-15(11)28)5-34-17-25-24-7(2)35-17/h11,15H,3-5H2,1-2H3,(H,23,29)(H,31,32)InChIKey
URSVFUZLBOUYKA-UHFFFAOYSA-NSynonyms
1214021-78-91214021789
7(((4chloro5methyl3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((2(4CHLORO5METHYL3(TRIFLUOROMETHYL)PYRAZOL1YL)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)F)Cl
InChI=1SC18H16ClF3N6O4S3c1610(19)13(18(2021)22)2627(6)39(29)231114(30)2812(16(31)32)8(43315(11)28)5341725247(2)3517h1115H35H212H3(H2329)(H3132)
MFCD04046460
ZINC000002788128
ZINC000002788131
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