Vitas-M small molecule compound
7-{[(1-ethyl-3-methyl-1H-pyrazol-4-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
STL404010
SMILES CCn1nc(c(c1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)C)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/c1-4-23-5-11(8(2)22-23)14(25)19-12-15(26)24-13(17(27)28)10(6-29-16(12)24)7-30-18-21-20-9(3)31-18/h5,12,16H,4,6-7H2,1-3H3,(H,19,25)(H,27,28)InChIKey
HIOKPWKVINOHFF-UHFFFAOYSA-NSynonyms
1214245-82-51214245825
7(((1ethyl3methyl1Hpyrazol4yl)carbonyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((1ETHYL3METHYLPYRAZOLE4CARBONYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CCN1C=C(C(=N1)C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O
InChI=1SC18H20N6O4S3c1423511(8(2)2223)14(25)191215(26)2413(17(27)28)10(62916(12)24)7301821209(3)3118h51216H467H213H3(H1925)(H2728)
MFCD04049593
ZINC000002783703
ZINC000002783706
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