Vitas-M small molecule compound
2-{[4-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
Catalog ID
STL354109
SMILES O=C(N1CCCC1)CSc1nnc(n1c1ccc(c(c1)C)C)c1ccncc1
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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 C21H23N5OS MW 393.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5OS/c1-15-5-6-18(13-16(15)2)26-20(17-7-9-22-10-8-17)23-24-21(26)28-14-19(27)25-11-3-4-12-25/h5-10,13H,3-4,11-12,14H2,1-2H3InChIKey
FKLUXNPBYLHALA-UHFFFAOYSA-NSynonyms
626208-96-62((4(34dimethylphenyl)5(pyridin4yl)4H124triazol3yl)sulfanyl)1(pyrrolidin1yl)ethanone
2((4(34DIMETHYLPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)1PYRROLIDIN1YLETHANONE
626208966
CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCC3)C4=CC=NC=C4)C
InChI=1SC21H23N5OSc1155618(1316(15)2)2620(17792210817)232421(26)281419(27)2511341225h51013H34111214H212H3
MFCD03821881
ZINC000000796360
ZINC00796360
ZINC796360
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