Vitas-M small molecule compound
methyl 4-[({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL299192
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(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 C29H30N4O3S MW 514.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O3S/c1-19-6-16-24(17-7-19)33-26(20-8-12-22(13-9-20)29(2,3)4)31-32-28(33)37-18-25(34)30-23-14-10-21(11-15-23)27(35)36-5/h6-17H,18H2,1-5H3,(H,30,34)InChIKey
WGSGAVWUIOCDSC-UHFFFAOYSA-NSynonyms
861146-84-1861146841
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC29H30N4O3Sc11961624(17719)3326(2081222(13920)29(23)4)313228(33)371825(34)3023141021(111523)27(35)365h617H18H215H3(H3034)
methyl4((((5(4tertbutylphenyl)4(4methylphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl4(2((5(4(tertbutyl)phenyl)4(ptolyl)4H124triazol3yl)thio)acetamido)benzoate
METHYL4(2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
METHYL4(2(5(4(TERTBUTYL)PHENYL)4(4METHYLPHENYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD05684171
ZINC000009308951
ZINC09308951
ZINC9308951
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.