Vitas-M small molecule compound
N-(2-fluoro-4-methylphenyl)-2-({4-(prop-2-en-1-yl)-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK498163
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2F)C)nnc1COc1ccc2c(c1)CCCC2
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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 C25H27FN4O2S MW 466.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27FN4O2S/c1-3-12-30-23(15-32-20-10-9-18-6-4-5-7-19(18)14-20)28-29-25(30)33-16-24(31)27-22-11-8-17(2)13-21(22)26/h3,8-11,13-14H,1,4-7,12,15-16H2,2H3,(H,27,31)InChIKey
NKIMLSZRKZVLCN-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC4=C(CCCC4)C=C3)F
InChI=1SC25H27FN4O2Sc13123023(15322010918645719(18)1420)282925(30)331624(31)272211817(2)1321(22)26h38111314H147121516H22H3(H2731)
MFCD11855330
N(2fluoro4methylphenyl)2((4(prop2en1yl)5((5678tetrahydronaphthalen2yloxy)methyl)4H124triazol3yl)sulfanyl)acetamide
N(2fluoro4methylphenyl)2((4prop2enyl5(5678tetrahydronaphthalen2yloxymethyl)124triazol3yl)sulfanyl)acetamide
ZINC000032579594
ZINC32579594
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