Vitas-M small molecule compound
3-{[(2E)-4-(ethoxycarbonyl)-5-methyl-1,3-thiazol-2(3H)-ylidene]carbamoyl}pyrazine-2-carboxylic acid
Catalog ID
STL156846
SMILES CCOC(=O)c1[nH]/c(=N\C(=O)c2nccnc2C(=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 C13H12N4O5S MW 336.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4O5S/c1-3-22-12(21)7-6(2)23-13(16-7)17-10(18)8-9(11(19)20)15-5-4-14-8/h4-5H,3H2,1-2H3,(H,19,20)(H,16,17,18)InChIKey
VEMQZDKXBOOQIA-UHFFFAOYSA-NSynonyms
1310945-27-71310945277
3(((2E)4(ethoxycarbonyl)5methyl13thiazol2(3H)ylidene)carbamoyl)pyrazine2carboxylicacid
3((4ethoxycarbonyl5methyl13thiazol2yl)carbamoyl)pyrazine2carboxylicacid
CCOC(=O)c1(nH)c(=NC(=O)c2nccnc2C(=O)O)sc1C
CCOC(=O)C1=C(SC(=N1)NC(=O)C2=NC=CN=C2C(=O)O)C
InChI=1SC13H12N4O5Sc132212(21)76(2)2313(167)1710(18)89(11(19)20)1554148h45H3H212H3(H1920)(H161718)
MFCD20757812
ZINC000071282966
ZINC71282966
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