Vitas-M small molecule compound
7-{[(4-chloro-5-methyl-1H-pyrazol-1-yl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL405679
SMILES O=C(Cn1ncc(c1C)Cl)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C
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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 C16H17ClN8O4S2 MW 484.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17ClN8O4S2/c1-7-9(17)3-18-24(7)4-10(26)19-11-13(27)25-12(15(28)29)8(5-30-14(11)25)6-31-16-20-21-22-23(16)2/h3,11,14H,4-6H2,1-2H3,(H,19,26)(H,28,29)InChIKey
RPHMAQXEFYASJZ-UHFFFAOYSA-NSynonyms
1214184-61-81214184618
7(((4chloro5methyl1Hpyrazol1yl)acetyl)amino)3(((1methyl1Htetrazol5yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7(((4CHLORO5METHYL1HPYRAZOL1YL)ACETYL)AMINO)3(((1METHYL1HTETRAZOL5YL)THIO)METHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
7((2(4CHLORO5METHYLPYRAZOL1YL)ACETYL)AMINO)3((1METHYLTETRAZOL5YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O)Cl
InChI=1SC16H17ClN8O4S2c179(17)31824(7)410(26)191113(27)2512(15(28)29)8(53014(11)25)6311620212223(16)2h31114H46H212H3(H1926)(H2829)
MFCD05667431
ZINC000002733009
ZINC000002733012
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