Vitas-M small molecule compound
4-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-3-nitrobenzoic acid
Catalog ID
STK112376
SMILES Brc1cccc(c1)c1nnc(o1)Sc1ccc(cc1[N+](=O)[O-])C(=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 C15H8BrN3O5S MW 422.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H8BrN3O5S/c16-10-3-1-2-8(6-10)13-17-18-15(24-13)25-12-5-4-9(14(20)21)7-11(12)19(22)23/h1-7H,(H,20,21)InChIKey
HLBQXKWSQHMOGB-UHFFFAOYSA-NSynonyms
4((5(3BROMOPHENYL)134OXADIAZOL2YL)SULFANYL)3NITROBENZOICACID
4((5(3BROMOPHENYL)134OXADIAZOL2YL)THIO)3NITROBENZOICACID
4(5(3BROMOPHENYL)(134OXADIAZOL2YLTHIO))3NITROBENZOICACID
Brc1cccc(c1)c1nnc(o1)Sc1ccc(cc1(N+)(=O)(O))C(=O)O
C1=CC(=CC(=C1)Br)C2=NN=C(O2)SC3=C(C=C(C=C3)C(=O)O)(N+)(=O)(O)
InChI=1SC15H8BrN3O5Sc16103128(610)13171815(2413)2512549(14(20)21)711(12)19(22)23h17H(H2021)
MFCD02039476
ZINC000001077898
ZINC1077898
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