Vitas-M small molecule compound
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
Catalog ID
STK647537
SMILES COc1cc2c(cc1OC)CC(C2=O)Sc1nc2c(o1)ccc(c2)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 C18H14ClNO4S MW 375.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClNO4S/c1-22-14-5-9-6-16(17(21)11(9)8-15(14)23-2)25-18-20-12-7-10(19)3-4-13(12)24-18/h3-5,7-8,16H,6H2,1-2H3InChIKey
VSWIQMUIYJQUAK-UHFFFAOYSA-NSynonyms
1144467-75-31144467753
2((5chloro13benzoxazol2yl)sulfanyl)56dimethoxy23dihydro1Hinden1one
2((5chloro13benzoxazol2yl)sulfanyl)56dimethoxy23dihydroinden1one
2((5chlorobenzo(d)oxazol2yl)thio)56dimethoxy23dihydro1Hinden1one
COC1=C(C=C2C(=C1)CC(C2=O)SC3=NC4=C(O3)C=CC(=C4)Cl)OC
InChI=1SC18H14ClNO4Sc1221459616(17(21)11(9)815(14)232)25182012710(19)3413(12)2418h357816H6H212H3
MFCD12211856
ZINC000032073415
ZINC000032073416
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