Vitas-M small molecule compound
7-{[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propanoyl]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
STL403902
SMILES O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)C)CCn1nc(c(c1)Cl)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 C18H19ClN6O4S3 MW 515.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN6O4S3/c1-8-11(19)5-24(23-8)4-3-12(26)20-13-15(27)25-14(17(28)29)10(6-30-16(13)25)7-31-18-22-21-9(2)32-18/h5,13,16H,3-4,6-7H2,1-2H3,(H,20,26)(H,28,29)InChIKey
ULUSWTFNYOCDPK-UHFFFAOYSA-NSynonyms
1214089-18-51214089185
7((3(4chloro3methyl1Hpyrazol1yl)propanoyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7(3(4chloro3methylpyrazol1yl)propanoylamino)3((5methyl134thiadiazol2yl)sulfanylmethyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
CC1=NN(C=C1Cl)CCC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O
InChI=1SC18H19ClN6O4S3c1811(19)524(238)4312(26)201315(27)2514(17(28)29)10(63016(13)25)7311822219(2)3218h51316H3467H212H3(H2026)(H2829)
MFCD04137739
ZINC000002809228
ZINC000002809231
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