Vitas-M small molecule compound

propan-2-yl 5-carbamoyl-2-{[(2,6-dimethylpiperidin-1-yl)acetyl]amino}-4-methylthiophene-3-carboxylate

Catalog ID
STK460431
SMILES O=C(Nc1sc(c(c1C(=O)OC(C)C)C)C(=O)N)CN1C(C)CCCC1C

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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 C19H29N3O4S MW 395.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H29N3O4S/c1-10(2)26-19(25)15-13(5)16(17(20)24)27-18(15)21-14(23)9-22-11(3)7-6-8-12(22)4/h10-12H,6-9H2,1-5H3,(H2,20,24)(H,21,23)
InChIKey
GAENXTZOLUPPIX-UHFFFAOYSA-N
Synonyms

CC1CCCC(N1CC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OC(C)C)C
InChI=1SC19H29N3O4Sc110(2)2619(25)1513(5)16(17(20)24)2718(15)2114(23)92211(3)76812(22)4h1012H69H215H3(H22024)(H2123)
METHYLETHYL2(2(26DIMETHYLPIPERIDYL)ACETYLAMINO)5CARBAMOYL4METHYLTHIOPHENE3CARBOXYLATE
MFCD06192006
propan2yl5carbamoyl2(((26dimethylpiperidin1yl)acetyl)amino)4methylthiophene3carboxylate
propan2yl5carbamoyl2((2(26dimethylpiperidin1yl)acetyl)amino)4methylthiophene3carboxylate
ZINC000017080891
ZINC000017080894

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.