Vitas-M small molecule compound
3-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-4-methyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole
Catalog ID
STK128318
SMILES Cn1c(nnc1Cc1cccc2c1cccc2)SCc1c(C)cc(cc1C)C(C)(C)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 C27H31N3S MW 429.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3S/c1-18-14-22(27(3,4)5)15-19(2)24(18)17-31-26-29-28-25(30(26)6)16-21-12-9-11-20-10-7-8-13-23(20)21/h7-15H,16-17H2,1-6H3InChIKey
DMLFXRPYFJZYOL-UHFFFAOYSA-NSynonyms
3((4TERTBUTYL26DIMETHYLBENZYL)SULFANYL)4METHYL5(NAPHTHALEN1YLMETHYL)4H124TRIAZOLE
3((4TERTBUTYL26DIMETHYLPHENYL)METHYLSULFANYL)4METHYL5(NAPHTHALEN1YLMETHYL)124TRIAZOLE
CC1=CC(=CC(=C1CSC2=NN=C(N2C)CC3=CC=CC4=CC=CC=C43)C)C(C)(C)C
InChI=1SC27H31N3Sc1181422(27(34)5)1519(2)24(18)173126292825(30(26)6)1621129112010781323(20)21h715H1617H216H3
MFCD04364641
ZINC000004700456
ZINC04700456
ZINC4700456
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