Vitas-M small molecule compound
2-bromo-N-{5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
Catalog ID
STK126414
SMILES O=C(c1ccccc1Br)Nc1nnc(s1)SCc1ccc(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 C16H11BrN4O3S2 MW 451.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11BrN4O3S2/c17-13-4-2-1-3-12(13)14(22)18-15-19-20-16(26-15)25-9-10-5-7-11(8-6-10)21(23)24/h1-8H,9H2,(H,18,19,22)InChIKey
DQXOSEFRTNLUMP-UHFFFAOYSA-NSynonyms
2BROMON(5((4NITROBENZYL)SULFANYL)134THIADIAZOL2YL)BENZAMIDE
2BROMON(5((4NITROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)BENZAMIDE
C1=CC=C(C(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)(N+)(=O)(O))Br
InChI=1SC16H11BrN4O3S2c1713421312(13)14(22)1815192016(2615)259105711(8610)21(23)24h18H9H2(H181922)
MFCD03356847
O=C(c1ccccc1Br)Nc1nnc(s1)SCc1ccc(cc1)(N+)(=O)(O)
ZINC000002821676
ZINC02821676
ZINC2821676
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