Vitas-M small molecule compound
methyl [({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}acetyl)amino](phenyl)acetate
Catalog ID
STK786016
SMILES COCc1cc(C)nc(c1C#N)SCC(=O)NC(c1ccccc1)C(=O)OC
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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 C20H21N3O4S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S/c1-13-9-15(11-26-2)16(10-21)19(22-13)28-12-17(24)23-18(20(25)27-3)14-7-5-4-6-8-14/h4-9,18H,11-12H2,1-3H3,(H,23,24)InChIKey
CYLJDFOOEPFZCS-UHFFFAOYSA-NSynonyms
CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC(C2=CC=CC=C2)C(=O)OC
InChI=1SC20H21N3O4Sc113915(11262)16(1021)19(2213)281217(24)2318(20(25)273)147546814h4918H1112H213H3(H2324)
methyl((((3cyano4(methoxymethyl)6methylpyridin2yl)sulfanyl)acetyl)amino)(phenyl)acetate
methyl2((2(3cyano4(methoxymethyl)6methylpyridin2yl)sulfanylacetyl)amino)2phenylacetate
MFCD08142457
ZINC000006659370
ZINC000006659372
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