Vitas-M small molecule compound
1-(2-methoxyphenyl)-3-[(2E)-5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]urea
Catalog ID
STK561918
SMILES COc1ccccc1NC(=O)/N=c/1\[nH]nc(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/c1-26-14-5-3-2-4-13(14)18-16(23)19-17-21-20-15(28-17)10-27-12-8-6-11(7-9-12)22(24)25/h2-9H,10H2,1H3,(H2,18,19,21,23)InChIKey
WHJAVRIXEDLLCR-UHFFFAOYSA-NSynonyms
426248-58-01(2methoxyphenyl)3((2E)5((4nitrophenoxy)methyl)134thiadiazol2(3H)ylidene)urea
1(2METHOXYPHENYL)3(5((4NITROPHENOXY)METHYL)134THIADIAZOL2YL)UREA
426248580
COC1=CC=CC=C1NC(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)(N+)(=O)(O)
COc1ccccc1NC(=O)N=c1(nH)nc(s1)COc1ccc(cc1)(N+)(=O)(O)
InChI=1SC17H15N5O5Sc12614532413(14)1816(23)1917212015(2817)1027128611(7912)22(24)25h29H10H21H3(H218192123)
MFCD03796491
ZINC000002320922
ZINC02320922
ZINC2320922
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