Vitas-M small molecule compound
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-{1-(4-fluorophenyl)-2-[(4-methoxyphenyl)amino]-2-oxoethyl}-N-(2-methylbenzyl)acetamide
Catalog ID
STL446852
SMILES COc1ccc(cc1)NC(=O)C(N(C(=O)CSc1nc(C)cc(n1)C)Cc1ccccc1C)c1ccc(cc1)F
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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 C31H31FN4O3S MW 558.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31FN4O3S/c1-20-7-5-6-8-24(20)18-36(28(37)19-40-31-33-21(2)17-22(3)34-31)29(23-9-11-25(32)12-10-23)30(38)35-26-13-15-27(39-4)16-14-26/h5-17,29H,18-19H2,1-4H3,(H,35,38)InChIKey
NUXUCMSIWDCIEH-UHFFFAOYSA-NSynonyms
2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((2METHYLPHENYL)METHYL)AMINO)2(4FLUOROPHENYL)N(4METHOXYPHENYL)ACETAMIDE
2((46dimethylpyrimidin2yl)sulfanyl)N(1(4fluorophenyl)2((4methoxyphenyl)amino)2oxoethyl)N(2methylbenzyl)acetamide
2(46DIMETHYLPYRIMIDIN2YLTHIO)N(1(4FLUOROPHENYL)2(4METHOXYPHENYLAMINO)2OXOETHYL)N(2METHYLBENZYL)ACETAMIDE
CC1=CC=CC=C1CN(C(C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)OC)C(=O)CSC4=NC(=CC(=N4)C)C
InChI=1SC31H31FN4O3Sc120756824(20)1836(28(37)1940313321(2)1722(3)3431)29(2391125(32)121023)30(38)3526131527(394)161426h51729H1819H214H3(H3538)
MFCD06243982
ZINC000001407993
ZINC000001407994
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