Vitas-M small molecule compound
7-{[(4-chloro-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
STL405678
SMILES O=C(Cn1ncc(c1C)Cl)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)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 C17H17ClN6O4S3 MW 501.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN6O4S3/c1-7-10(18)3-19-23(7)4-11(25)20-12-14(26)24-13(16(27)28)9(5-29-15(12)24)6-30-17-22-21-8(2)31-17/h3,12,15H,4-6H2,1-2H3,(H,20,25)(H,27,28)InChIKey
CMDBCEFATJNRLA-UHFFFAOYSA-NSynonyms
1214147-12-21214147122
7(((4chloro5methyl1Hpyrazol1yl)acetyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7(((4CHLORO5METHYL1HPYRAZOL1YL)ACETYL)AMINO)3(((5METHYL134THIADIAZOL2YL)THIO)METHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
7((2(4CHLORO5METHYLPYRAZOL1YL)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)Cl
InChI=1SC17H17ClN6O4S3c1710(18)31923(7)411(25)201214(26)2413(16(27)28)9(52915(12)24)6301722218(2)3117h31215H46H212H3(H2025)(H2728)
MFCD05667261
ZINC000002732737
ZINC000002732740
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