Vitas-M small molecule compound

N-[5-(acetylamino)-2-methoxyphenyl]-2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Catalog ID
STL054664
SMILES COc1ccc(cc1NC(=O)CSc1nnc(n1CC)c1ccccc1)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 C21H23N5O3S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O3S/c1-4-26-20(15-8-6-5-7-9-15)24-25-21(26)30-13-19(28)23-17-12-16(22-14(2)27)10-11-18(17)29-3/h5-12H,4,13H2,1-3H3,(H,22,27)(H,23,28)
InChIKey
LYUNFVBPPOHYSV-UHFFFAOYSA-N
Synonyms
861148-37-0
861148370
CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)NC(=O)C)OC)C3=CC=CC=C3
InChI=1SC21H23N5O3Sc142620(158657915)242521(26)301319(28)23171216(2214(2)27)101118(17)293h512H413H213H3(H2227)(H2328)
MFCD05684397
N(5(acetylamino)2methoxyphenyl)2((4ethyl5phenyl4H124triazol3yl)sulfanyl)acetamide
N(5(ACETYLAMINO)2METHOXYPHENYL)2(4ETHYL5PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
N(5ACETAMIDO2METHOXYPHENYL)2((4ETHYL5PHENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(5ACETAMIDO2METHOXYPHENYL)2((4ETHYL5PHENYL4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(5acetamido2methoxyphenyl)2((4ethyl5phenyl4H124triazol3yl)thio)acetamide
ZINC000009308271
ZINC09308271
ZINC9308271

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Available files

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