Vitas-M small molecule compound
7-[(cyclohexylcarbonyl)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
STL177593
SMILES O=C(C1CCCCC1)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 C18H22N4O4S3 MW 454.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O4S3/c1-9-20-21-18(29-9)28-8-11-7-27-16-12(15(24)22(16)13(11)17(25)26)19-14(23)10-5-3-2-4-6-10/h10,12,16H,2-8H2,1H3,(H,19,23)(H,25,26)InChIKey
LFSZDJRVXFVEDY-UHFFFAOYSA-NSynonyms
1214697-10-51214697105
7((cyclohexylcarbonyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7(CYCLOHEXANECARBONYLAMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C4CCCCC4)SC2)C(=O)O
InChI=1SC18H22N4O4S3c19202118(299)288117271612(15(24)22(16)13(11)17(25)26)1914(23)105324610h101216H28H21H3(H1923)(H2526)
MFCD04134066
ZINC000002803224
ZINC000002803227
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