Vitas-M small molecule compound
4-(1,3-benzoxazol-2-ylsulfanyl)but-2-yn-1-yl 4-bromobenzoate
Catalog ID
STK079614
SMILES Brc1ccc(cc1)C(=O)OCC#CCSc1nc2c(o1)cccc2
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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 C18H12BrNO3S MW 402.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12BrNO3S/c19-14-9-7-13(8-10-14)17(21)22-11-3-4-12-24-18-20-15-5-1-2-6-16(15)23-18/h1-2,5-10H,11-12H2InChIKey
WTBOVHQYYVNHRQ-UHFFFAOYSA-NSynonyms
4(13BENZOXAZOL2YLSULFANYL)BUT2YN1YL4BROMOBENZOATE
4(13BENZOXAZOL2YLSULFANYL)BUT2YNYL4BROMOBENZOATE
Brc1ccc(cc1)C(=O)OCC#CCSc1nc2c(o1)cccc2
C1=CC=C2C(=C1)N=C(O2)SCC#CCOC(=O)C3=CC=C(C=C3)Br
InChI=1SC18H12BrNO3Sc19149713(81014)17(21)2211341224182015512616(15)2318h12510H1112H2
MFCD03062094
STK079614
ZINC000002918294
ZINC02918294
ZINC2918294
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