Vitas-M small molecule compound
3-(4-tert-butylphenyl)-5-[(2-methylbenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole
Catalog ID
STL348162
SMILES Cc1ccc(cc1)n1c(SCc2ccccc2C)nnc1c1ccc(cc1)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 C27H29N3S MW 427.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3S/c1-19-10-16-24(17-11-19)30-25(21-12-14-23(15-13-21)27(3,4)5)28-29-26(30)31-18-22-9-7-6-8-20(22)2/h6-17H,18H2,1-5H3InChIKey
HXHAMMZQDAQTBO-UHFFFAOYSA-NSynonyms
861645-99-03(4(tertbutyl)phenyl)5((2methylbenzyl)thio)4(ptolyl)4H124triazole
3(4TERTBUTYLPHENYL)4(4METHYLPHENYL)5((2METHYLPHENYL)METHYLSULFANYL)124TRIAZOLE
3(4tertbutylphenyl)5((2methylbenzyl)sulfanyl)4(4methylphenyl)4H124triazole
5(4(TERTBUTYL)PHENYL)4(4METHYLPHENYL)3((2METHYLPHENYL)METHYLTHIO)124TRIAZOLE
861645990
CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC27H29N3Sc119101624(171119)3025(21121423(151321)27(34)5)282926(30)311822976820(22)2h617H18H215H3
MFCD05686265
ZINC000005484594
ZINC05484594
ZINC5484594
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