Vitas-M small molecule compound
3-{[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STL395363
SMILES CCn1nc(c(c1)c1csc(n1)NC(=O)C1C2CCC(C1C(=O)O)O2)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 C17H20N4O4S MW 376.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O4S/c1-3-21-6-9(8(2)20-21)10-7-26-17(18-10)19-15(22)13-11-4-5-12(25-11)14(13)16(23)24/h6-7,11-14H,3-5H2,1-2H3,(H,23,24)(H,18,19,22)InChIKey
KXJDXXWUALSLNN-UHFFFAOYSA-NSynonyms
1053070-17-91053070179
2((4(1ethyl3methylpyrazol4yl)13thiazol2yl)carbamoyl)7oxabicyclo(221)heptane3carboxylicacid
3((4(1ETHYL3METHYL1HPYRAZOL4YL)13THIAZOL2YL)CARBAMOYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
CCN1C=C(C(=N1)C)C2=CSC(=N2)NC(=O)C3C4CCC(C3C(=O)O)O4
InChI=1SC17H20N4O4Sc132169(8(2)2021)1072617(1810)1915(22)13114512(2511)14(13)16(23)24h671114H35H212H3(H2324)(H181922)
MFCD04140444
ZINC000226393862
ZINC000239338669
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