Vitas-M small molecule compound
methyl 2-({[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK687714
SMILES COC(=O)c1c(NC(=O)CSc2nc(C)cc(n2)O)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 C19H23N3O4S2 MW 421.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O4S2/c1-11-9-14(23)22-19(20-11)27-10-15(24)21-17-16(18(25)26-2)12-7-5-3-4-6-8-13(12)28-17/h9H,3-8,10H2,1-2H3,(H,21,24)(H,20,22,23)InChIKey
CICTYRJQAYSBLK-UHFFFAOYSA-NSynonyms
CC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC
InChI=1SC19H23N3O4S2c111914(23)2219(2011)271015(24)211716(18(25)262)1275346813(12)2817h9H3810H212H3(H2124)(H202223)
methyl2((((4hydroxy6methylpyrimidin2yl)sulfanyl)acetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((2((6methyl4oxo1Hpyrimidin2yl)sulfanyl)acetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD06775117
ZINC000015022368
ZINC15022368
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