Vitas-M small molecule compound
N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N~2~-(2-fluorobenzyl)-N-(4-methoxyphenyl)alaninamide
Catalog ID
STL446198
SMILES COc1ccc(cc1)NC(=O)C(N(C(=O)CSc1nc(C)cc(n1)C)Cc1ccccc1F)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 C25H27FN4O3S MW 482.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27FN4O3S/c1-16-13-17(2)28-25(27-16)34-15-23(31)30(14-19-7-5-6-8-22(19)26)18(3)24(32)29-20-9-11-21(33-4)12-10-20/h5-13,18H,14-15H2,1-4H3,(H,29,32)InChIKey
CUJQGVDVSRSWRG-UHFFFAOYSA-NSynonyms
2((2((46DIMETHYL2PYRIMIDINYL)SULFANYL)ACETYL)(2FLUOROBENZYL)AMINO)N(4METHOXYPHENYL)PROPANAMIDE
2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((2FLUOROPHENYL)METHYL)AMINO)N(4METHOXYPHENYL)PROPANAMIDE
CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2F)C(C)C(=O)NC3=CC=C(C=C3)OC)C
InChI=1SC25H27FN4O3Sc1161317(2)2825(2716)341523(31)30(1419756822(19)26)18(3)24(32)292091121(334)121020h51318H1415H214H3(H2932)
MFCD06243543
N~2~(((46dimethylpyrimidin2yl)sulfanyl)acetyl)N~2~(2fluorobenzyl)N(4methoxyphenyl)alaninamide
N2(((46DIMETHYLPYRIMIDIN2YL)SULFANYL)ACETYL)N2(2FLUOROBENZYL)N(4METHOXYPHENYL)ALANINAMIDE
ZINC000001407229
ZINC000001407230
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