Vitas-M small molecule compound
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL140381
SMILES O=C(Nc1c(=O)n(n(c1C)C)c1ccccc1)CSc1nnc(n1C)c1cccnc1
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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 C21H21N7O2S MW 435.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N7O2S/c1-14-18(20(30)28(27(14)3)16-9-5-4-6-10-16)23-17(29)13-31-21-25-24-19(26(21)2)15-8-7-11-22-12-15/h4-12H,13H2,1-3H3,(H,23,29)InChIKey
KNYYMBQBCFFEGX-UHFFFAOYSA-NSynonyms
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3C)C4=CN=CC=C4
InChI=1SC21H21N7O2Sc11418(20(30)28(27(14)3)1695461016)2317(29)133121252419(26(21)2)158711221215h412H13H213H3(H2329)
MFCD06140663
N(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)2((4methyl5(pyridin3yl)4H124triazol3yl)sulfanyl)acetamide
N(15dimethyl3oxo2phenylpyrazol4yl)2((4methyl5pyridin3yl124triazol3yl)sulfanyl)acetamide
ZINC000014109974
ZINC14109974
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