Vitas-M small molecule compound
N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-2-{[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL391494
SMILES CCn1cc(c(n1)C)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/c1-3-30-11-15(14(2)28-30)19-7-9-25-22(26-19)33-13-21(32)27-20-8-10-31(29-20)12-16-17(23)5-4-6-18(16)24/h4-11H,3,12-13H2,1-2H3,(H,27,29,32)InChIKey
CTKDXJAZINUFJC-UHFFFAOYSA-NSynonyms
1005628-50-11005628501
CCN1C=C(C(=N1)C)C2=NC(=NC=C2)SCC(=O)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F
InChI=1SC22H21ClFN7OSc13301115(14(2)2830)19792522(2619)331321(32)272081031(2920)121617(23)54618(16)24h411H31213H212H3(H272932)
MFCD04140451
N(1((2chloro6fluorophenyl)methyl)pyrazol3yl)2(4(1ethyl3methylpyrazol4yl)pyrimidin2yl)sulfanylacetamide
N(1(2chloro6fluorobenzyl)1Hpyrazol3yl)2((4(1ethyl3methyl1Hpyrazol4yl)pyrimidin2yl)sulfanyl)acetamide
ZINC000002731262
ZINC02731262
ZINC2731262
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