Vitas-M small molecule compound
2-{[5-(acetylamino)-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)acetamide
Catalog ID
STK215837
SMILES N#Cc1c(NC(=O)CSc2nc(O)c(c(=O)[nH]2)NC(=O)C)sc2c1CCCCCC2
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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 C19H21N5O4S2 MW 447.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O4S2/c1-10(25)21-15-16(27)23-19(24-17(15)28)29-9-14(26)22-18-12(8-20)11-6-4-2-3-5-7-13(11)30-18/h2-7,9H2,1H3,(H,21,25)(H,22,26)(H2,23,24,27,28)InChIKey
ZQIASTCWNCBYAH-UHFFFAOYSA-NSynonyms
2((5(acetylamino)4hydroxy6oxo16dihydropyrimidin2yl)sulfanyl)N(3cyano456789hexahydrocycloocta(b)thiophen2yl)acetamide
2((5acetamido4hydroxy6oxo1Hpyrimidin2yl)sulfanyl)N(3cyano456789hexahydrocycloocta(b)thiophen2yl)acetamide
CC(=O)NC1=C(N=C(NC1=O)SCC(=O)NC2=C(C3=C(S2)CCCCCC3)C#N)O
InChI=1SC19H21N5O4S2c110(25)211516(27)2319(2417(15)28)29914(26)221812(820)1164235713(11)3018h279H21H3(H2125)(H2226)(H223242728)
MFCD03996199
N#Cc1c(NC(=O)CSc2nc(O)c(c(=O)(nH)2)NC(=O)C)sc2c1CCCCCC2
ZINC000012731489
ZINC12731489
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