Vitas-M small molecule compound

4-methyl-3-[(3-methylbenzyl)sulfanyl]-5-(tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl)-4H-1,2,4-triazole

Catalog ID
STK472515
SMILES Cc1cccc(c1)CSc1nnc(n1C)CC12CC3CC(C2)CC(C1)C3

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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 C22H29N3S MW 367.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3S/c1-15-4-3-5-16(6-15)14-26-21-24-23-20(25(21)2)13-22-10-17-7-18(11-22)9-19(8-17)12-22/h3-6,17-19H,7-14H2,1-2H3
InChIKey
UPUHTDOZEPCMMU-UHFFFAOYSA-N
Synonyms

3(1adamantylmethyl)4methyl5((3methylphenyl)methylsulfanyl)124triazole
3(ADAMANTANYLMETHYL)4METHYL5((3METHYLPHENYL)METHYLTHIO)124TRIAZOLE
4methyl3((3methylbenzyl)sulfanyl)5(tricyclo(3311~37~)dec1ylmethyl)4H124triazole
CC1=CC(=CC=C1)CSC2=NN=C(N2C)CC34CC5CC(C3)CC(C5)C4
InChI=1SC22H29N3Sc11543516(615)142621242320(25(21)2)13221017718(1122)919(817)1222h361719H714H212H3
ZINC000017075505
ZINC17075505

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Available files

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