Vitas-M small molecule compound
ethyl 6-ethyl-2-({[(2-phenylquinolin-4-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK301339
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2cc(nc3c2cccc3)c2ccccc2)sc2c1CCC(C2)CC
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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 C30H29N3O3S2 MW 543.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O3S2/c1-3-18-14-15-21-25(16-18)38-28(26(21)29(35)36-4-2)33-30(37)32-27(34)22-17-24(19-10-6-5-7-11-19)31-23-13-9-8-12-20(22)23/h5-13,17-18H,3-4,14-16H2,1-2H3,(H2,32,33,34,37)InChIKey
KSVAHUGAMPLLNE-UHFFFAOYSA-NSynonyms
438613-42-4438613424
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5
ethyl6ethyl2((((2phenylquinolin4yl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6ethyl2((2phenylquinoline4carbonyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC30H29N3O3S2c131814152125(1618)3828(26(21)29(35)3642)3330(37)3227(34)221724(19106571119)312313981220(22)23h5131718H341416H212H3(H232333437)
MFCD02604844
ZINC000002727010
ZINC000002727011
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