Vitas-M small molecule compound
1-(3-methoxyphenyl)-3-[5-(4-nitrobenzyl)-1,3,4-thiadiazol-2-yl]urea
Catalog ID
STK020867
SMILES COc1cccc(c1)NC(=O)Nc1nnc(s1)Cc1ccc(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 C17H15N5O4S MW 385.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N5O4S/c1-26-14-4-2-3-12(10-14)18-16(23)19-17-21-20-15(27-17)9-11-5-7-13(8-6-11)22(24)25/h2-8,10H,9H2,1H3,(H2,18,19,21,23)InChIKey
HUJAWKGVPWRKIC-UHFFFAOYSA-NSynonyms
426238-14-41(3METHOXYPHENYL)3((2E)5(4NITROBENZYL)134THIADIAZOL2(3H)YLIDENE)UREA
1(3METHOXYPHENYL)3(5((4NITROPHENYL)METHYL)134THIADIAZOL2YL)UREA
1(3METHOXYPHENYL)3(5(4NITROBENZYL)134THIADIAZOL2YL)UREA
COC1=CC=CC(=C1)NC(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)(N+)(=O)(O)
COc1cccc(c1)NC(=O)Nc1nnc(s1)Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC17H15N5O4Sc1261442312(1014)1816(23)1917212015(2717)9115713(8611)22(24)25h2810H9H21H3(H218192123)
MFCD02638614
STK020867
ZINC000001831552
ZINC01831552
ZINC1831552
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