Vitas-M small molecule compound
1-(3,4-dichlorophenyl)-3-[(2E)-5-(4-nitrobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
Catalog ID
STL150336
SMILES O=C(/N=c/1\[nH]nc(s1)Cc1ccc(cc1)[N+](=O)[O-])Nc1ccc(c(c1)Cl)Cl
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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 C16H11Cl2N5O3S MW 424.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11Cl2N5O3S/c17-12-6-3-10(8-13(12)18)19-15(24)20-16-22-21-14(27-16)7-9-1-4-11(5-2-9)23(25)26/h1-6,8H,7H2,(H2,19,20,22,24)InChIKey
HQQAEIITSROWTQ-UHFFFAOYSA-NSynonyms
MFCD03810897
O=C(N=c1(nH)nc(s1)Cc1ccc(cc1)(N+)(=O)(O))Nc1ccc(c(c1)Cl)Cl
ZINC000017147782
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