Vitas-M small molecule compound
3-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK465155
SMILES C=CCn1c(SCc2c(F)cccc2Cl)nnc1c1csc2c1CCC(C2)C
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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 C21H21ClFN3S2 MW 434.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClFN3S2/c1-3-9-26-20(15-11-27-19-10-13(2)7-8-14(15)19)24-25-21(26)28-12-16-17(22)5-4-6-18(16)23/h3-6,11,13H,1,7-10,12H2,2H3InChIKey
HHPYCBDJNVOXNL-UHFFFAOYSA-NSynonyms
3((2chloro6fluorobenzyl)sulfanyl)5(6methyl4567tetrahydro1benzothiophen3yl)4(prop2en1yl)4H124triazole
3((2chloro6fluorophenyl)methylsulfanyl)5(6methyl4567tetrahydro1benzothiophen3yl)4prop2enyl124triazole
CC1CCC2=C(C1)SC=C2C3=NN=C(N3CC=C)SCC4=C(C=CC=C4Cl)F
InChI=1SC21H21ClFN3S2c1392620(151127191013(2)7814(15)19)242521(26)28121617(22)54618(16)23h361113H171012H22H3
MFCD06080027
ZINC000017098719
ZINC000017098720
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