Vitas-M small molecule compound

methyl N-{[1-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbonyl}-beta-alaninate

Catalog ID
STK937050
SMILES COC(=O)CCNC(=O)C1CCN(CC1)c1ncnc2c1c1CCCCc1s2

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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 C20H26N4O3S MW 402.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O3S/c1-27-16(25)6-9-21-19(26)13-7-10-24(11-8-13)18-17-14-4-2-3-5-15(14)28-20(17)23-12-22-18/h12-13H,2-11H2,1H3,(H,21,26)
InChIKey
KOELGYOJGWVUSR-UHFFFAOYSA-N
Synonyms
1219554-33-2
1219554332
COC(=O)CCNC(=O)C1CCN(CC1)C2=C3C4=C(CCCC4)SC3=NC=N2
InChI=1SC20H26N4O3Sc12716(25)692119(26)1371024(11813)181714423515(14)2820(17)23122218h1213H211H21H3(H2126)
methyl3((1(5678tetrahydro(1)benzothiolo(23d)pyrimidin4yl)piperidine4carbonyl)amino)propanoate
methyl3(1(5678tetrahydrobenzo(45)thieno(23d)pyrimidin4yl)piperidine4carboxamido)propanoate
methylN((1(5678tetrahydro(1)benzothieno(23d)pyrimidin4yl)piperidin4yl)carbonyl)betaalaninate
MFCD16623308
ZINC000040266704
ZINC40266704

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Available files

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