Vitas-M small molecule compound
ethyl 3,5-dimethyl-4-{[(2E)-5-(tetrahydrofuran-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamoyl}-1H-pyrrole-2-carboxylate
Catalog ID
STL319044
SMILES CCOC(=O)c1[nH]c(c(c1C)C(=O)/N=c/1\[nH]nc(s1)C1CCCO1)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 C16H20N4O4S MW 364.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4O4S/c1-4-23-15(22)12-8(2)11(9(3)17-12)13(21)18-16-20-19-14(25-16)10-6-5-7-24-10/h10,17H,4-7H2,1-3H3,(H,18,20,21)InChIKey
ZNTOMNPFMABPAA-UHFFFAOYSA-NSynonyms
1574480-15-11574480151
CCOC(=O)c1(nH)c(c(c1C)C(=O)N=c1(nH)nc(s1)C1CCCO1)C
CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2=NN=C(S2)C3CCCO3)C
ethyl35dimethyl4(((2E)5(tetrahydrofuran2yl)134thiadiazol2(3H)ylidene)carbamoyl)1Hpyrrole2carboxylate
ethyl35dimethyl4((5(oxolan2yl)134thiadiazol2yl)carbamoyl)1Hpyrrole2carboxylate
InChI=1SC16H20N4O4Sc142315(22)128(2)11(9(3)1712)13(21)1816201914(2516)106572410h1017H47H213H3(H182021)
MFCD28031632
ZINC000095479765
ZINC000095479766
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