Vitas-M small molecule compound
7-({[1-(difluoromethyl)-1H-pyrazol-3-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
STK305587
SMILES FC(n1ccc(n1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)C)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 C16H14F2N6O4S3 MW 488.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14F2N6O4S3/c1-6-20-21-16(31-6)30-5-7-4-29-13-9(12(26)24(13)10(7)14(27)28)19-11(25)8-2-3-23(22-8)15(17)18/h2-3,9,13,15H,4-5H2,1H3,(H,19,25)(H,27,28)InChIKey
XZUNNOPKSCRFKC-UHFFFAOYSA-NSynonyms
1214638-82-01214638820
7(((1(difluoromethyl)1Hpyrazol3yl)carbonyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((1(DIFLUOROMETHYL)PYRAZOLE3CARBONYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C4=NN(C=C4)C(F)F)SC2)C(=O)O
InChI=1SC16H14F2N6O4S3c16202116(316)3057429139(12(26)24(13)10(7)14(27)28)1911(25)82323(228)15(17)18h2391315H45H21H3(H1925)(H2728)
MFCD04045870
ZINC000002786836
ZINC000002786839
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