Vitas-M small molecule compound
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-{2-[(4-methoxyphenyl)amino]-2-oxo-1-(thiophen-2-yl)ethyl}-N-(2-methylbenzyl)acetamide
Catalog ID
STL438827
SMILES COc1ccc(cc1)NC(=O)C(N(C(=O)CSc1nc(C)cc(n1)C)Cc1ccccc1C)c1cccs1
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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 C29H30N4O3S2 MW 546.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O3S2/c1-19-8-5-6-9-22(19)17-33(26(34)18-38-29-30-20(2)16-21(3)31-29)27(25-10-7-15-37-25)28(35)32-23-11-13-24(36-4)14-12-23/h5-16,27H,17-18H2,1-4H3,(H,32,35)InChIKey
CDXONPYLONWOIU-UHFFFAOYSA-NSynonyms
2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((2METHYLPHENYL)METHYL)AMINO)N(4METHOXYPHENYL)2THIOPHEN2YLACETAMIDE
2((46dimethylpyrimidin2yl)sulfanyl)N(2((4methoxyphenyl)amino)2oxo1(thiophen2yl)ethyl)N(2methylbenzyl)acetamide
2(46DIMETHYLPYRIMIDIN2YLTHIO)N(2(4METHOXYPHENYLAMINO)2OXO1(THIOPHEN2YL)ETHYL)N(2METHYLBENZYL)ACETAMIDE
CC1=CC=CC=C1CN(C(C2=CC=CS2)C(=O)NC3=CC=C(C=C3)OC)C(=O)CSC4=NC(=CC(=N4)C)C
InChI=1SC29H30N4O3S2c119856922(19)1733(26(34)1838293020(2)1621(3)3129)27(25107153725)28(35)3223111324(364)141223h51627H1718H214H3(H3235)
MFCD06239639
ZINC000001412469
ZINC000001412470
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