Vitas-M small molecule compound
methyl 5-(diethylcarbamoyl)-2-[({4-[hydroxy(diphenyl)methyl]piperidin-1-yl}carbonothioyl)amino]-4-methylthiophene-3-carboxylate
Catalog ID
STK448210
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=S)N1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)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 C31H37N3O4S2 MW 579.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N3O4S2/c1-5-33(6-2)28(35)26-21(3)25(29(36)38-4)27(40-26)32-30(39)34-19-17-24(18-20-34)31(37,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,24,37H,5-6,17-20H2,1-4H3,(H,32,39)InChIKey
NSELNDACKJVQKJ-UHFFFAOYSA-NSynonyms
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(=O)OC)C
InChI=1SC31H37N3O4S2c1533(62)28(35)2621(3)25(29(36)384)27(4026)3230(39)34191724(182034)31(37221397101422)2315118121623h7162437H561720H214H3(H3239)
methyl5(diethylcarbamoyl)2(((4(hydroxy(diphenyl)methyl)piperidin1yl)carbonothioyl)amino)4methylthiophene3carboxylate
methyl5(diethylcarbamoyl)2((4(hydroxy(diphenyl)methyl)piperidine1carbothioyl)amino)4methylthiophene3carboxylate
METHYL5(NNDIETHYLCARBAMOYL)2(((4(HYDROXYDIPHENYLMETHYL)PIPERIDYL)THIOXOMETHYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD04137762
ZINC000097948536
ZINC97948536
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.