Vitas-M small molecule compound

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

Catalog ID
STL406675
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)c1ccco1

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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 C23H20N4O4S MW 448.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O4S/c1-2-30-22(29)16-10-12-17(13-11-16)24-20(28)15-32-23-26-25-21(19-9-6-14-31-19)27(23)18-7-4-3-5-8-18/h3-14H,2,15H2,1H3,(H,24,28)
InChIKey
PSEVZVDMARZTKD-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4
ethyl4((((5(furan2yl)4phenyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
ETHYL4((2((5(FURAN2YL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC23H20N4O4Sc123022(29)16101217(131116)2420(28)153223262521(1996143119)27(23)187435818h314H215H21H3(H2428)
MFCD04388696
ZINC000002860634
ZINC02860634
ZINC2860634

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Available files

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