Vitas-M small molecule compound
methyl [4-({1-[(2,5-difluorophenyl)amino]-1-oxobutan-2-yl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Catalog ID
STL124889
SMILES CCC(C(=O)Nc1cc(F)ccc1F)SC1=Nc2ccccc2NC(=C1)CC(=O)OC
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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 C22H21F2N3O3S MW 445.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21F2N3O3S/c1-3-19(22(29)27-18-10-13(23)8-9-15(18)24)31-20-11-14(12-21(28)30-2)25-16-6-4-5-7-17(16)26-20/h4-11,19,25H,3,12H2,1-2H3,(H,27,29)InChIKey
GQBQGGKLEOGAFN-UHFFFAOYSA-NSynonyms
CCC(C(=O)NC1=C(C=CC(=C1)F)F)SC2=NC3=CC=CC=C3NC(=C2)CC(=O)OC
InChI=1SC22H21F2N3O3Sc1319(22(29)27181013(23)8915(18)24)31201114(1221(28)302)2516645717(16)2620h4111925H312H212H3(H2729)
methyl(4((1((25difluorophenyl)amino)1oxobutan2yl)sulfanyl)1H15benzodiazepin2yl)acetate
methyl2(4(1(25difluoroanilino)1oxobutan2yl)sulfanyl1H15benzodiazepin2yl)acetate
MFCD20736243
ZINC000064869612
ZINC000064869614
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