Vitas-M small molecule compound
2-{[4-amino-5-(7-methoxy-1-benzofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
Catalog ID
STK117155
SMILES COc1cccc2c1oc(c2)c1nnc(n1N)SCC(=O)Nc1ccc(c(c1)Cl)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 C20H18ClN5O3S MW 443.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN5O3S/c1-11-6-7-13(9-14(11)21)23-17(27)10-30-20-25-24-19(26(20)22)16-8-12-4-3-5-15(28-2)18(12)29-16/h3-9H,10,22H2,1-2H3,(H,23,27)InChIKey
HGXSMHLBMCXFOW-UHFFFAOYSA-NSynonyms
2((4AMINO5(7METHOXY1BENZOFURAN2YL)124TRIAZOL3YL)SULFANYL)N(3CHLORO4METHYLPHENYL)ACETAMIDE
2((4AMINO5(7METHOXY1BENZOFURAN2YL)4H124TRIAZOL3YL)SULFANYL)N(3CHLORO4METHYLPHENYL)ACETAMIDE
2(4AMINO5(7METHOXYBENZOFURAN2YL)4H(124)TRIAZOL3YLSULFANYL)N(3CHLORO4METHYLPHENYL)ACETAMIDE
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC4=C(O3)C(=CC=C4)OC)Cl
InChI=1SC20H18ClN5O3Sc1116713(914(11)21)2317(27)103020252419(26(20)22)1681243515(282)18(12)2916h39H1022H212H3(H2327)
MFCD04128057
ZINC000009260815
ZINC09260815
ZINC9260815
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