Vitas-M small molecule compound
N-[2-(1,3-benzodioxol-5-ylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
Catalog ID
STL438771
SMILES Fc1ccc(cc1)C(N(C(=O)CSc1nc(C)cc(n1)C)Cc1cccnc1)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 C29H26FN5O4S MW 559.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26FN5O4S/c1-18-12-19(2)33-29(32-18)40-16-26(36)35(15-20-4-3-11-31-14-20)27(21-5-7-22(30)8-6-21)28(37)34-23-9-10-24-25(13-23)39-17-38-24/h3-14,27H,15-17H2,1-2H3,(H,34,37)InChIKey
DJEHWQIXLDXZQX-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)SCC(=O)N(CC2=CN=CC=C2)C(C3=CC=C(C=C3)F)C(=O)NC4=CC5=C(C=C4)OCO5)C
InChI=1SC29H26FN5O4Sc1181219(2)3329(3218)401626(36)35(15204311311420)27(215722(30)8621)28(37)34239102425(1323)39173824h31427H1517H212H3(H3437)
MFCD06243877
N(13BENZODIOXOL5YL)2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)(PYRIDIN3YLMETHYL)AMINO)2(4FLUOROPHENYL)ACETAMIDE
N(2(13benzodioxol5ylamino)1(4fluorophenyl)2oxoethyl)2((46dimethylpyrimidin2yl)sulfanyl)N(pyridin3ylmethyl)acetamide
N(BENZO(D)(13)DIOXOL5YL)2(2(46DIMETHYLPYRIMIDIN2YLTHIO)N(PYRIDIN3YLMETHYL)ACETAMIDO)2(4FLUOROPHENYL)ACETAMIDE
ZINC000001407828
ZINC000001407829
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