Vitas-M small molecule compound

N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-beta-alanine

Catalog ID
STK913979
SMILES OC(=O)CCNc1nc(C)nc2c1c1CCCCc1s2

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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 C14H17N3O2S MW 291.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N3O2S/c1-8-16-13(15-7-6-11(18)19)12-9-4-2-3-5-10(9)20-14(12)17-8/h2-7H2,1H3,(H,18,19)(H,15,16,17)
InChIKey
CXHXLGCFXFORKS-UHFFFAOYSA-N
Synonyms
799785-89-0
3((2methyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4yl)amino)propanoicacid
3((2methyl5678tetrahydrobenzo(45)thieno(23d)pyrimidin4yl)amino)propanoicacid
799785890
CC1=NC(=C2C3=C(CCCC3)SC2=N1)NCCC(=O)O
InChI=1SC14H17N3O2Sc181613(157611(18)19)129423510(9)2014(12)178h27H21H3(H1819)(H151617)
MFCD03675432
N(2methyl5678tetrahydro(1)benzothieno(23d)pyrimidin4yl)betaalanine
ZINC000000553758
ZINC553758

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Available files

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