Vitas-M small molecule compound

methyl 4-[({[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STL057634
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nnc1c1cccc(c1)OC

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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 C26H24N4O5S MW 504.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O5S/c1-33-21-13-11-20(12-14-21)30-24(18-5-4-6-22(15-18)34-2)28-29-26(30)36-16-23(31)27-19-9-7-17(8-10-19)25(32)35-3/h4-15H,16H2,1-3H3,(H,27,31)
InChIKey
WFMKVZIRYJULDB-UHFFFAOYSA-N
Synonyms
861117-17-1
861117171
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC(=CC=C4)OC
InChI=1SC26H24N4O5Sc13321131120(121421)3024(1854622(1518)342)282926(30)361623(31)27199717(81019)25(32)353h415H16H213H3(H2731)
methyl4((((5(3methoxyphenyl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((5(3METHOXYPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2((5(3METHOXYPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
methyl4(2((5(3methoxyphenyl)4(4methoxyphenyl)4H124triazol3yl)thio)acetamido)benzoate
METHYL4(2(4(4METHOXYPHENYL)5(3METHOXYPHENYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD05683021
ZINC000009307563
ZINC09307563
ZINC9307563

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.