Vitas-M small molecule compound
N-benzyl-2-{[(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetamide
Catalog ID
STL400048
SMILES CC(CN1C(=N/C(=C/c2cn(nc2C)C)/C1=O)SCC(=O)NCc1ccccc1)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 C22H27N5O2S MW 425.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O2S/c1-15(2)12-27-21(29)19(10-18-13-26(4)25-16(18)3)24-22(27)30-14-20(28)23-11-17-8-6-5-7-9-17/h5-10,13,15H,11-12,14H2,1-4H3,(H,23,28)/b19-10+InChIKey
ZAKOERXUZADZJT-VXLYETTFSA-NSynonyms
1005661-60-81005661608
CC(CN1C(=NC(=Cc2cn(nc2C)C)C1=O)SCC(=O)NCc1ccccc1)C
CC1=NN(C=C1C=C2C(=O)N(C(=N2)SCC(=O)NCC3=CC=CC=C3)CC(C)C)C
InChI=1SC22H27N5O2Sc115(2)122721(29)19(10181326(4)2516(18)3)2422(27)301420(28)2311178657917h5101315H111214H214H3(H2328)b1910+
MFCD04050121
Nbenzyl2(((4E)4((13dimethyl1Hpyrazol4yl)methylidene)1(2methylpropyl)5oxo45dihydro1Himidazol2yl)sulfanyl)acetamide
Nbenzyl2((4E)4((13dimethylpyrazol4yl)methylidene)1(2methylpropyl)5oxoimidazol2yl)sulfanylacetamide
ZINC000002786051
ZINC02786051
ZINC2786051
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