Vitas-M small molecule compound
3-{[(2E)-4-(ethoxycarbonyl)-5-methyl-1,3-thiazol-2(3H)-ylidene]carbamoyl}-2,2-dimethylcyclopropanecarboxylic acid
Catalog ID
STL161233
SMILES CCOC(=O)c1[nH]/c(=N\C(=O)C2C(C2(C)C)C(=O)O)/sc1C
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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 C14H18N2O5S MW 326.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N2O5S/c1-5-21-12(20)9-6(2)22-13(15-9)16-10(17)7-8(11(18)19)14(7,3)4/h7-8H,5H2,1-4H3,(H,18,19)(H,15,16,17)InChIKey
HHQYCDDZOQZUKE-UHFFFAOYSA-NSynonyms
1310945-64-21310945642
3(((2E)4(ethoxycarbonyl)5methyl13thiazol2(3H)ylidene)carbamoyl)22dimethylcyclopropanecarboxylicacid
3((4ethoxycarbonyl5methyl13thiazol2yl)carbamoyl)22dimethylcyclopropane1carboxylicacid
CCOC(=O)c1(nH)c(=NC(=O)C2C(C2(C)C)C(=O)O)sc1C
CCOC(=O)C1=C(SC(=N1)NC(=O)C2C(C2(C)C)C(=O)O)C
InChI=1SC14H18N2O5Sc152112(20)96(2)2213(159)1610(17)78(11(18)19)14(73)4h78H5H214H3(H1819)(H151617)
MFCD20759312
ZINC000071280602
ZINC000071280606
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