Vitas-M small molecule compound

3-(4-tert-butylphenyl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole

Catalog ID
STL299116
SMILES CC(c1ccc(cc1)c1nnc(n1C)SC/C=C/c1ccccc1)(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 C22H25N3S MW 363.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3S/c1-22(2,3)19-14-12-18(13-15-19)20-23-24-21(25(20)4)26-16-8-11-17-9-6-5-7-10-17/h5-15H,16H2,1-4H3/b11-8+
InChIKey
IYPAYXGXZLJQCB-DHZHZOJOSA-N
Synonyms
849018-98-0
3((2E)3PHENYLPROP2ENYLTHIO)5(4(TERTBUTYL)PHENYL)4METHYL124TRIAZOLE
3(4(tertbutyl)phenyl)5(cinnamylthio)4methyl4H124triazole
3(4tertbutylphenyl)4methyl5(((2E)3phenylprop2en1yl)sulfanyl)4H124triazole
3(4TERTBUTYLPHENYL)4METHYL5((E)3PHENYLPROP2ENYL)SULFANYL124TRIAZOLE
849018980
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC=CC3=CC=CC=C3
CC(c1ccc(cc1)c1nnc(n1C)SCC=Cc1ccccc1)(C)C
InChI=1SC22H25N3Sc122(23)19141218(131519)20232421(25(20)4)26168111796571017h515H16H214H3b118+
MFCD05680983
ZINC000002452730
ZINC02452730
ZINC2452730

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Available files

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