Vitas-M small molecule compound
1-(3,4-dimethylphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea
Catalog ID
STK064673
SMILES O=C(Nc1ccc(c(c1)C)C)Nc1nnc(s1)COc1ccc(cc1)[N+](=O)[O-]
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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 C18H17N5O4S MW 399.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O4S/c1-11-3-4-13(9-12(11)2)19-17(24)20-18-22-21-16(28-18)10-27-15-7-5-14(6-8-15)23(25)26/h3-9H,10H2,1-2H3,(H2,19,20,22,24)InChIKey
BIGJJSNRFFQEIH-UHFFFAOYSA-NSynonyms
429626-49-31(34DIMETHYLPHENYL)3((2E)5((4NITROPHENOXY)METHYL)134THIADIAZOL2(3H)YLIDENE)UREA
1(34DIMETHYLPHENYL)3(5((4NITROPHENOXY)METHYL)134THIADIAZOL2YL)UREA
CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)(N+)(=O)(O))C
InChI=1SC18H17N5O4Sc1113413(912(11)2)1917(24)2018222116(2818)1027157514(6815)23(25)26h39H10H212H3(H219202224)
MFCD02921919
O=C(Nc1ccc(c(c1)C)C)Nc1nnc(s1)COc1ccc(cc1)(N+)(=O)(O)
STK064673
ZINC000001761607
ZINC01761607
ZINC1761607
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