Vitas-M small molecule compound
4-butoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
Catalog ID
STK007306
SMILES CCCCOc1ccc(cc1)C(=O)Nc1nnc(s1)c1cccc(c1)[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 C19H18N4O4S MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O4S/c1-2-3-11-27-16-9-7-13(8-10-16)17(24)20-19-22-21-18(28-19)14-5-4-6-15(12-14)23(25)26/h4-10,12H,2-3,11H2,1H3,(H,20,22,24)InChIKey
WRHLIFSPZJETLI-UHFFFAOYSA-NSynonyms
4BUTOXYN((2E)5(3NITROPHENYL)134THIADIAZOL2(3H)YLIDENE)BENZAMIDE
4BUTOXYN(5(3NITROPHENYL)134THIADIAZOL2YL)BENZAMIDE
CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC(=CC=C3)(N+)(=O)(O)
CCCCOc1ccc(cc1)C(=O)Nc1nnc(s1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC19H18N4O4Sc1231127169713(81016)17(24)2019222118(2819)1454615(1214)23(25)26h41012H2311H21H3(H202224)
MFCD01538386
STK007306
ZINC02148753
ZINC2148753
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