Vitas-M small molecule compound
1-(3,4-dimethylphenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea
Catalog ID
STK065976
SMILES O=C(Nc1nnc(s1)c1ccc(cc1)[N+](=O)[O-])Nc1ccc(c(c1)C)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 C17H15N5O3S MW 369.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N5O3S/c1-10-3-6-13(9-11(10)2)18-16(23)19-17-21-20-15(26-17)12-4-7-14(8-5-12)22(24)25/h3-9H,1-2H3,(H2,18,19,21,23)InChIKey
NUECBMDHIZLKLM-UHFFFAOYSA-NSynonyms
429632-57-51(34DIMETHYLPHENYL)3((2E)5(4NITROPHENYL)134THIADIAZOL2(3H)YLIDENE)UREA
1(34DIMETHYLPHENYL)3(5(4NITROPHENYL)134THIADIAZOL2YL)UREA
CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)C3=CC=C(C=C3)(N+)(=O)(O))C
InChI=1SC17H15N5O3Sc1103613(911(10)2)1816(23)1917212015(2617)124714(8512)22(24)25h39H12H3(H218192123)
MFCD02922159
O=C(Nc1nnc(s1)c1ccc(cc1)(N+)(=O)(O))Nc1ccc(c(c1)C)C
STK065976
ZINC000001818131
ZINC01818131
ZINC1818131
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