Vitas-M small molecule compound
ethyl 2-{[({2-[3-(propan-2-yloxy)phenyl]quinolin-4-yl}carbonyl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STL174316
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2cc(nc3c2cccc3)c2cccc(c2)OC(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 C32H33N3O4S2 MW 587.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3O4S2/c1-4-38-31(37)28-23-14-6-5-7-16-27(23)41-30(28)35-32(40)34-29(36)24-18-26(33-25-15-9-8-13-22(24)25)20-11-10-12-21(17-20)39-19(2)3/h8-13,15,17-19H,4-7,14,16H2,1-3H3,(H2,34,35,36,40)InChIKey
PALKKXYDPYLUMW-UHFFFAOYSA-NSynonyms
445237-78-5445237785
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OC(C)C
ethyl2((((2(3(propan2yloxy)phenyl)quinolin4yl)carbonyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2(3propan2yloxyphenyl)quinoline4carbonyl)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC32H33N3O4S2c143831(37)2823146571627(23)4130(28)3532(40)3429(36)241826(332515981322(24)25)2011101221(1720)3919(2)3h813151719H471416H213H3(H234353640)
MFCD02609214
ZINC000002108669
ZINC02108669
ZINC2108669
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