Vitas-M small molecule compound
methyl 2-[(2,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylcarbonyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
Catalog ID
STL410412
SMILES COC(=O)c1nc(sc1C)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 C15H18N4O3S MW 334.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N4O3S/c1-8-11(14(21)22-2)16-15(23-8)17-13(20)12-9-6-4-3-5-7-10(9)18-19-12/h3-7H2,1-2H3,(H,18,19)(H,16,17,20)InChIKey
DEJKQRQLNZFBJY-UHFFFAOYSA-NSynonyms
1574303-33-51574303335
CC1=C(N=C(S1)NC(=O)C2=NNC3=C2CCCCC3)C(=O)OC
COC(=O)c1nc(sc1C)NC(=O)c1(nH)nc2c1CCCCC2
COC(=O)c1nc(sc1C)NC(=O)c1n(nH)c2c1CCCCC2
InChI=1SC15H18N4O3Sc1811(14(21)222)1615(238)1713(20)1296435710(9)181912h37H212H3(H1819)(H161720)
methyl2((245678hexahydrocyclohepta(c)pyrazol3ylcarbonyl)amino)5methyl13thiazole4carboxylate
methyl2(145678hexahydrocyclohepta(c)pyrazole3carbonylamino)5methyl13thiazole4carboxylate
methyl2(145678hexahydrocyclohepta(c)pyrazole3carboxamido)5methylthiazole4carboxylate
MFCD30706194
ZINC000096231418
ZINC96231418
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