Vitas-M small molecule compound
N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-2-{[4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL400410
SMILES CCn1ncc(c1C)c1ccnc(n1)SCC(=O)Nc1ccn(n1)Cc1c(F)cccc1Cl
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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 C22H21ClFN7OS MW 485.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClFN7OS/c1-3-31-14(2)15(11-26-31)19-7-9-25-22(27-19)33-13-21(32)28-20-8-10-30(29-20)12-16-17(23)5-4-6-18(16)24/h4-11H,3,12-13H2,1-2H3,(H,28,29,32)InChIKey
GJZKHLNWCBSSON-UHFFFAOYSA-NSynonyms
1005576-63-51005576635
CCN1C(=C(C=N1)C2=NC(=NC=C2)SCC(=O)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F)C
InChI=1SC22H21ClFN7OSc133114(2)15(112631)19792522(2719)331321(32)282081030(2920)121617(23)54618(16)24h411H31213H212H3(H282932)
MFCD04138055
N(1((2chloro6fluorophenyl)methyl)pyrazol3yl)2(4(1ethyl5methylpyrazol4yl)pyrimidin2yl)sulfanylacetamide
N(1(2chloro6fluorobenzyl)1Hpyrazol3yl)2((4(1ethyl5methyl1Hpyrazol4yl)pyrimidin2yl)sulfanyl)acetamide
ZINC000002809538
ZINC02809538
ZINC2809538
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