Vitas-M small molecule compound
7-{[(3,5-dimethyl-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
STL405687
SMILES Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cn1nc(cc1C)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 C18H20N6O4S3 MW 480.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6O4S3/c1-8-4-9(2)23(22-8)5-12(25)19-13-15(26)24-14(17(27)28)11(6-29-16(13)24)7-30-18-21-20-10(3)31-18/h4,13,16H,5-7H2,1-3H3,(H,19,25)(H,27,28)InChIKey
WAKDDRMSVXHWSO-UHFFFAOYSA-NSynonyms
1214643-32-91214643329
7(((35dimethyl1Hpyrazol1yl)acetyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7(((35DIMETHYL1HPYRAZOL1YL)ACETYL)AMINO)3(((5METHYL134THIADIAZOL2YL)THIO)METHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
7((2(35DIMETHYLPYRAZOL1YL)ACETYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=CC(=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)C
InChI=1SC18H20N6O4S3c1849(2)23(228)512(25)191315(26)2414(17(27)28)11(62916(13)24)73018212010(3)3118h41316H57H213H3(H1925)(H2728)
MFCD04140705
ZINC000002731542
ZINC000002731545
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