Vitas-M small molecule compound
methyl 2-({[2-(5-ethylthiophen-2-yl)quinolin-4-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK431811
SMILES COC(=O)c1c(NC(=O)c2cc(nc3c2cccc3)c2ccc(s2)CC)sc2c1CCC(C2)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 C27H26N2O3S2 MW 490.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O3S2/c1-4-16-10-12-22(33-16)21-14-19(17-7-5-6-8-20(17)28-21)25(30)29-26-24(27(31)32-3)18-11-9-15(2)13-23(18)34-26/h5-8,10,12,14-15H,4,9,11,13H2,1-3H3,(H,29,30)InChIKey
YNXUUGHGTDSDIC-UHFFFAOYSA-NSynonyms
CCC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C)C(=O)OC
InChI=1SC27H26N2O3S2c1416101222(3316)211419(17756820(17)2821)25(30)292624(27(31)323)1811915(2)1323(18)3426h5810121415H491113H213H3(H2930)
methyl2(((2(5ethylthiophen2yl)quinolin4yl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((2(5ethylthiophen2yl)quinoline4carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD03074947
ZINC000002112185
ZINC000002112187
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