Vitas-M small molecule compound
3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole
Catalog ID
STK036512
SMILES COc1ccc(cc1)n1c(SC/C=C/c2ccccc2)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 C28H29N3OS MW 455.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3OS/c1-28(2,3)23-14-12-22(13-15-23)26-29-30-27(31(26)24-16-18-25(32-4)19-17-24)33-20-8-11-21-9-6-5-7-10-21/h5-19H,20H2,1-4H3/b11-8+InChIKey
LXZNXCMCZHLHFQ-DHZHZOJOSA-NSynonyms
499102-95-31(3((2E)3PHENYLPROP2ENYLTHIO)5(4(TERTBUTYL)PHENYL)(124TRIAZOL4YL))4METHOXYBENZENE
3(4(tertbutyl)phenyl)5(cinnamylthio)4(4methoxyphenyl)4H124triazole
3(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)5(((2E)3PHENYLPROP2EN1YL)SULFANYL)4H124TRIAZOLE
3(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)5((E)3PHENYLPROP2ENYL)SULFANYL124TRIAZOLE
499102953
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC=CC4=CC=CC=C4
COc1ccc(cc1)n1c(SCC=Cc2ccccc2)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC28H29N3OSc128(23)23141222(131523)26293027(31(26)24161825(324)191724)33208112196571021h519H20H214H3b118+
MFCD03223948
STK036512
ZINC000001748040
ZINC01748040
ZINC1748040
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