Vitas-M small molecule compound

N-[5-(acetylamino)-2-methoxyphenyl]-2-{[5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STL341672
SMILES COc1ccc(cc1NC(=O)CSc1nnc(n1Cc1ccco1)c1ccco1)NC(=O)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 C22H21N5O5S MW 467.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O5S/c1-14(28)23-15-7-8-18(30-2)17(11-15)24-20(29)13-33-22-26-25-21(19-6-4-10-32-19)27(22)12-16-5-3-9-31-16/h3-11H,12-13H2,1-2H3,(H,23,28)(H,24,29)
InChIKey
BKDBLHFKWVFCID-UHFFFAOYSA-N
Synonyms
578700-38-6
578700386
CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CO4
InChI=1SC22H21N5O5Sc114(28)23157818(302)17(1115)2420(29)133322262521(1964103219)27(22)12165393116h311H1213H212H3(H2328)(H2429)
MFCD04029279
N(5(acetylamino)2methoxyphenyl)2((5(furan2yl)4(furan2ylmethyl)4H124triazol3yl)sulfanyl)acetamide
N(5(ACETYLAMINO)2METHOXYPHENYL)2(5(2FURYL)4(2FURYLMETHYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N(5ACETAMIDO2METHOXYPHENYL)2((5(FURAN2YL)4(FURAN2YLMETHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(5ACETAMIDO2METHOXYPHENYL)2((5(FURAN2YL)4(FURAN2YLMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(5acetamido2methoxyphenyl)2((5(furan2yl)4(furan2ylmethyl)4H124triazol3yl)thio)acetamide
ZINC000002386983
ZINC02386983
ZINC2386983

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Available files

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