Vitas-M small molecule compound
N-1,3-benzodioxol-5-yl-N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N~2~-(2-fluorobenzyl)alaninamide
Catalog ID
STL446204
SMILES Cc1nc(SCC(=O)N(C(C(=O)Nc2ccc3c(c2)OCO3)C)Cc2ccccc2F)nc(c1)C
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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 C25H25FN4O4S MW 496.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25FN4O4S/c1-15-10-16(2)28-25(27-15)35-13-23(31)30(12-18-6-4-5-7-20(18)26)17(3)24(32)29-19-8-9-21-22(11-19)34-14-33-21/h4-11,17H,12-14H2,1-3H3,(H,29,32)InChIKey
RYZIYEFNWYEHPL-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2F)C(C)C(=O)NC3=CC4=C(C=C3)OCO4)C
InChI=1SC25H25FN4O4Sc1151016(2)2825(2715)351323(31)30(1218645720(18)26)17(3)24(32)2919892122(1119)34143321h41117H1214H213H3(H2932)
MFCD06243548
N(13BENZODIOXOL5YL)2((2((46DIMETHYL2PYRIMIDINYL)SULFANYL)ACETYL)(2FLUOROBENZYL)AMINO)PROPANAMIDE
N(13BENZODIOXOL5YL)2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((2FLUOROPHENYL)METHYL)AMINO)PROPANAMIDE
N13benzodioxol5ylN~2~(((46dimethylpyrimidin2yl)sulfanyl)acetyl)N~2~(2fluorobenzyl)alaninamide
N13BENZODIOXOL5YLN2(((46DIMETHYLPYRIMIDIN2YL)SULFANYL)ACETYL)N2(2FLUOROBENZYL)ALANINAMIDE
ZINC000001407235
ZINC000001407236
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