Vitas-M small molecule compound
N-[2-(1,3-benzodioxol-5-ylamino)-1-(3-fluorophenyl)-2-oxoethyl]-N-(4-chlorobenzyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL437624
SMILES Fc1cccc(c1)C(N(C(=O)CSc1nc(C)cc(n1)C)Cc1ccc(cc1)Cl)C(=O)Nc1ccc2c(c1)OCO2
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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 C30H26ClFN4O4S MW 593.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClFN4O4S/c1-18-12-19(2)34-30(33-18)41-16-27(37)36(15-20-6-8-22(31)9-7-20)28(21-4-3-5-23(32)13-21)29(38)35-24-10-11-25-26(14-24)40-17-39-25/h3-14,28H,15-17H2,1-2H3,(H,35,38)InChIKey
FJLAKNCRQJSHJS-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=C(C=C2)Cl)C(C3=CC(=CC=C3)F)C(=O)NC4=CC5=C(C=C4)OCO5)C
InChI=1SC30H26ClFN4O4Sc1181219(2)3430(3318)411627(37)36(15206822(31)9720)28(2143523(32)1321)29(38)352410112526(1424)40173925h31428H1517H212H3(H3538)
MFCD09958490
N(13BENZODIOXOL5YL)2((4CHLOROPHENYL)METHYL(2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)AMINO)2(3FLUOROPHENYL)ACETAMIDE
N(2(13benzodioxol5ylamino)1(3fluorophenyl)2oxoethyl)N(4chlorobenzyl)2((46dimethylpyrimidin2yl)sulfanyl)acetamide
ZINC000001407583
ZINC000001407584
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