Vitas-M small molecule compound
3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole
Catalog ID
STL299177
SMILES Cc1ccc(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 C28H29N3S MW 439.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3S/c1-21-12-18-25(19-13-21)31-26(23-14-16-24(17-15-23)28(2,3)4)29-30-27(31)32-20-8-11-22-9-6-5-7-10-22/h5-19H,20H2,1-4H3/b11-8+InChIKey
AZIKUBHSSINMNO-DHZHZOJOSA-NSynonyms
849016-73-53((2E)3PHENYLPROP2ENYLTHIO)5(4(TERTBUTYL)PHENYL)4(4METHYLPHENYL)124TRIAZOLE
3(4(tertbutyl)phenyl)5(cinnamylthio)4(ptolyl)4H124triazole
3(4tertbutylphenyl)4(4methylphenyl)5(((2E)3phenylprop2en1yl)sulfanyl)4H124triazole
3(4TERTBUTYLPHENYL)4(4METHYLPHENYL)5((E)3PHENYLPROP2ENYL)SULFANYL124TRIAZOLE
849016735
CC1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C
Cc1ccc(cc1)n1c(SCC=Cc2ccccc2)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC28H29N3Sc121121825(191321)3126(23141624(171523)28(23)4)293027(31)32208112296571022h519H20H214H3b118+
MFCD05680723
ZINC000002451806
ZINC02451806
ZINC2451806
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