Vitas-M small molecule compound

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

Catalog ID
STL293757
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1CC)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 C18H18N4O4S MW 386.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O4S/c1-3-22-16(14-5-4-10-26-14)20-21-18(22)27-11-15(23)19-13-8-6-12(7-9-13)17(24)25-2/h4-10H,3,11H2,1-2H3,(H,19,23)
InChIKey
BCTRVTMRUBTLMG-UHFFFAOYSA-N
Synonyms
557069-77-9
557069779
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=CO3
InChI=1SC18H18N4O4Sc132216(1454102614)202118(22)271115(23)19138612(7913)17(24)252h410H311H212H3(H1923)
methyl4((((4ethyl5(furan2yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((4ETHYL5(FURAN2YL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2((4ETHYL5(FURAN2YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
METHYL4(2((4ETHYL5(FURAN2YL)4H124TRIAZOL3YL)THIO)ACETAMIDO)BENZOATE
METHYL4(2(4ETHYL5(2FURYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD03445059
ZINC000000779321
ZINC00779321
ZINC779321

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Available files

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