Vitas-M small molecule compound
2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenyl-N-(propan-2-yl)acetamide
Catalog ID
STK680602
SMILES CC(N(c1ccccc1)C(=O)CSc1nnc(n1c1ccccc1C)COc1ccc(cc1)C(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 C31H36N4O2S MW 528.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N4O2S/c1-22(2)34(25-13-8-7-9-14-25)29(36)21-38-30-33-32-28(35(30)27-15-11-10-12-23(27)3)20-37-26-18-16-24(17-19-26)31(4,5)6/h7-19,22H,20-21H2,1-6H3InChIKey
SMRBGZNCGYIXKC-UHFFFAOYSA-NSynonyms
539808-80-52((5((4(TERTBUTYL)PHENOXY)METHYL)4(OTOLYL)4H124TRIAZOL3YL)THIO)NISOPROPYLNPHENYLACETAMIDE
2((5((4TERTBUTYLPHENOXY)METHYL)4(2METHYLPHENYL)124TRIAZOL3YL)SULFANYL)NPHENYLNPROPAN2YLACETAMIDE
2((5((4tertbutylphenoxy)methyl)4(2methylphenyl)4H124triazol3yl)sulfanyl)NphenylN(propan2yl)acetamide
539808805
CC1=CC=CC=C1N2C(=NN=C2SCC(=O)N(C3=CC=CC=C3)C(C)C)COC4=CC=C(C=C4)C(C)(C)C
InChI=1SC31H36N4O2Sc122(2)34(25138791425)29(36)213830333228(35(30)271511101223(27)3)203726181624(171926)31(45)6h71922H2021H216H3
MFCD03460705
ZINC000002507670
ZINC02507670
ZINC2507670
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