Vitas-M small molecule compound
ethyl 2-[(2,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylcarbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL407863
SMILES CCOC(=O)c1sc(nc1C)NC(=O)c1[nH]nc2c1CCCCC2
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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 C16H20N4O3S MW 348.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4O3S/c1-3-23-15(22)13-9(2)17-16(24-13)18-14(21)12-10-7-5-4-6-8-11(10)19-20-12/h3-8H2,1-2H3,(H,19,20)(H,17,18,21)InChIKey
LFCQZTZDCKGITC-UHFFFAOYSA-NSynonyms
1574399-95-31574399953
CCOC(=O)C1=C(N=C(S1)NC(=O)C2=NNC3=C2CCCCC3)C
CCOC(=O)c1sc(nc1C)NC(=O)c1(nH)nc2c1CCCCC2
CCOC(=O)c1sc(nc1C)NC(=O)c1n(nH)c2c1CCCCC2
ethyl2((245678hexahydrocyclohepta(c)pyrazol3ylcarbonyl)amino)4methyl13thiazole5carboxylate
ethyl2(145678hexahydrocyclohepta(c)pyrazole3carbonylamino)4methyl13thiazole5carboxylate
ethyl2(145678hexahydrocyclohepta(c)pyrazole3carboxamido)4methylthiazole5carboxylate
InChI=1SC16H20N4O3Sc132315(22)139(2)1716(2413)1814(21)12107546811(10)192012h38H212H3(H1920)(H171821)
MFCD30704941
ZINC000096223685
ZINC96223685
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