Vitas-M small molecule compound
1-(3-methoxyphenyl)-3-{5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea
Catalog ID
STK099550
SMILES COc1cccc(c1)NC(=O)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 C17H15N5O5S MW 401.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N5O5S/c1-26-14-4-2-3-11(9-14)18-16(23)19-17-21-20-15(28-17)10-27-13-7-5-12(6-8-13)22(24)25/h2-9H,10H2,1H3,(H2,18,19,21,23)InChIKey
ICMDCOACUCJNGY-UHFFFAOYSA-NSynonyms
426240-27-91(3METHOXYPHENYL)3((2E)5((4NITROPHENOXY)METHYL)134THIADIAZOL2(3H)YLIDENE)UREA
1(3METHOXYPHENYL)3(5((4NITROPHENOXY)METHYL)134THIADIAZOL2YL)UREA
COC1=CC=CC(=C1)NC(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)(N+)(=O)(O)
COc1cccc(c1)NC(=O)Nc1nnc(s1)COc1ccc(cc1)(N+)(=O)(O)
InChI=1SC17H15N5O5Sc1261442311(914)1816(23)1917212015(2817)1027137512(6813)22(24)25h29H10H21H3(H218192123)
MFCD02638242
STK099550
ZINC02300851
ZINC2300851
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