Vitas-M small molecule compound
N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-{1-(4-fluorophenyl)-2-[(4-methoxyphenyl)amino]-2-oxoethyl}acetamide
Catalog ID
STL446845
SMILES COc1ccc(cc1)NC(=O)C(N(C(=O)CSc1nc(C)cc(n1)C)Cc1ccccc1)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 C30H29FN4O3S MW 544.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29FN4O3S/c1-20-17-21(2)33-30(32-20)39-19-27(36)35(18-22-7-5-4-6-8-22)28(23-9-11-24(31)12-10-23)29(37)34-25-13-15-26(38-3)16-14-25/h4-17,28H,18-19H2,1-3H3,(H,34,37)InChIKey
VNOJFWVZPLTSDY-UHFFFAOYSA-NSynonyms
2(BENZYL(2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)AMINO)2(4FLUOROPHENYL)N(4METHOXYPHENYL)ACETAMIDE
CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2)C(C3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)OC)C
InChI=1SC30H29FN4O3Sc1201721(2)3330(3220)391927(36)35(18227546822)28(2391124(31)121023)29(37)3425131526(383)161425h41728H1819H213H3(H3437)
MFCD06243974
Nbenzyl2((46dimethylpyrimidin2yl)sulfanyl)N(1(4fluorophenyl)2((4methoxyphenyl)amino)2oxoethyl)acetamide
NBENZYL2(46DIMETHYLPYRIMIDIN2YLTHIO)N(1(4FLUOROPHENYL)2(4METHOXYPHENYLAMINO)2OXOETHYL)ACETAMIDE
ZINC000001407975
ZINC000001407981
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