Vitas-M small molecule compound
2-{[4-amino-5-(7-methoxy-1-benzofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methoxyphenyl)acetamide
Catalog ID
STK117799
SMILES COc1ccc(cc1NC(=O)CSc1nnc(n1N)c1cc2c(o1)c(OC)ccc2)Cl
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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 C20H18ClN5O4S MW 459.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN5O4S/c1-28-14-7-6-12(21)9-13(14)23-17(27)10-31-20-25-24-19(26(20)22)16-8-11-4-3-5-15(29-2)18(11)30-16/h3-9H,10,22H2,1-2H3,(H,23,27)InChIKey
HYAJNWGLCYNEHH-UHFFFAOYSA-NSynonyms
2((4AMINO5(7METHOXY1BENZOFURAN2YL)124TRIAZOL3YL)SULFANYL)N(5CHLORO2METHOXYPHENYL)ACETAMIDE
2((4AMINO5(7METHOXY1BENZOFURAN2YL)4H124TRIAZOL3YL)SULFANYL)N(5CHLORO2METHOXYPHENYL)ACETAMIDE
COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2N)C3=CC4=C(O3)C(=CC=C4)OC
InChI=1SC20H18ClN5O4Sc128147612(21)913(14)2317(27)103120252419(26(20)22)1681143515(292)18(11)3016h39H1022H212H3(H2327)
MFCD04128086
ZINC000000687540
ZINC00687540
ZINC687540
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