Vitas-M small molecule compound
N-benzyl-2-{[(4Z)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetamide
Catalog ID
STL400700
SMILES COCCCN1C(=N/C(=C\c2cn(nc2C)C)/C1=O)SCC(=O)NCc1ccccc1
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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 C22H27N5O3S MW 441.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O3S/c1-16-18(14-26(2)25-16)12-19-21(29)27(10-7-11-30-3)22(24-19)31-15-20(28)23-13-17-8-5-4-6-9-17/h4-6,8-9,12,14H,7,10-11,13,15H2,1-3H3,(H,23,28)/b19-12-InChIKey
NLLFZPFTZCYTCB-UNOMPAQXSA-NSynonyms
CC1=NN(C=C1C=C2C(=O)N(C(=N2)SCC(=O)NCC3=CC=CC=C3)CCCOC)C
COCCCN1C(=NC(=Cc2cn(nc2C)C)C1=O)SCC(=O)NCc1ccccc1
InChI=1SC22H27N5O3Sc11618(1426(2)2516)121921(29)27(10711303)22(2419)311520(28)2313178546917h46891214H710111315H213H3(H2328)b1912
MFCD28952588
Nbenzyl2(((4Z)4((13dimethyl1Hpyrazol4yl)methylidene)1(3methoxypropyl)5oxo45dihydro1Himidazol2yl)sulfanyl)acetamide
Nbenzyl2((4Z)4((13dimethylpyrazol4yl)methylidene)1(3methoxypropyl)5oxoimidazol2yl)sulfanylacetamide
ZINC000002785875
ZINC2785875
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