Vitas-M small molecule compound

2-{[5-(3-hydroxypropyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2-phenylethyl)acetamide

Catalog ID
STK736213
SMILES OCCCc1nnc(n1c1ccccc1)SCC(=O)NCC(=O)c1ccccc1

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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 C21H22N4O3S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S/c26-13-7-12-19-23-24-21(25(19)17-10-5-2-6-11-17)29-15-20(28)22-14-18(27)16-8-3-1-4-9-16/h1-6,8-11,26H,7,12-15H2,(H,22,28)
InChIKey
NXGGIJQZDHOHFB-UHFFFAOYSA-N
Synonyms

2((5(3HYDROXYPROPYL)4PHENYL124TRIAZOL3YL)SULFANYL)NPHENACYLACETAMIDE
2((5(3hydroxypropyl)4phenyl4H124triazol3yl)sulfanyl)N(2oxo2phenylethyl)acetamide
C1=CC=C(C=C1)C(=O)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCO
InChI=1SC21H22N4O3Sc261371219232421(25(19)17105261117)291520(28)221418(27)168314916h1681126H71215H2(H2228)
MFCD06016785
ZINC000004624133
ZINC04624133
ZINC4624133

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Available files

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