Vitas-M small molecule compound
ethyl 2-{[({2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl}carbonyl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK301438
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2cc(nc3c2cccc3)c2cccc(c2)OCC(C)C)sc2c1CCCCC2
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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 C33H35N3O4S2 MW 601.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35N3O4S2/c1-4-39-32(38)29-24-14-6-5-7-16-28(24)42-31(29)36-33(41)35-30(37)25-18-27(34-26-15-9-8-13-23(25)26)21-11-10-12-22(17-21)40-19-20(2)3/h8-13,15,17-18,20H,4-7,14,16,19H2,1-3H3,(H2,35,36,37,41)InChIKey
XYRZEVQLBYKYNL-UHFFFAOYSA-NSynonyms
438197-18-3438197183
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OCC(C)C
ethyl2((((2(3(2methylpropoxy)phenyl)quinolin4yl)carbonyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2(3(2methylpropoxy)phenyl)quinoline4carbonyl)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC33H35N3O4S2c143932(38)2924146571628(24)4231(29)3633(41)3530(37)251827(342615981323(25)26)2111101222(1721)401920(2)3h81315171820H47141619H213H3(H235363741)
MFCD03073907
ZINC000008454354
ZINC08454354
ZINC8454354
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