Vitas-M small molecule compound

ethyl 4-[(3-methoxybenzyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate

Catalog ID
STL439515
SMILES CCOC(=O)c1cnc(nc1NCc1cccc(c1)OC)SC

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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 C16H19N3O3S MW 333.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O3S/c1-4-22-15(20)13-10-18-16(23-3)19-14(13)17-9-11-6-5-7-12(8-11)21-2/h5-8,10H,4,9H2,1-3H3,(H,17,18,19)
InChIKey
BDUOHOYRCYWPSP-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CN=C(N=C1NCC2=CC(=CC=C2)OC)SC
ETHYL4((3METHOXYBENZYL)AMINO)2(METHYLSULFANYL)5PYRIMIDINECARBOXYLATE
ethyl4((3methoxybenzyl)amino)2(methylsulfanyl)pyrimidine5carboxylate
ETHYL4((3METHOXYBENZYL)AMINO)2(METHYLTHIO)PYRIMIDINE5CARBOXYLATE
ETHYL4((3METHOXYPHENYL)METHYLAMINO)2METHYLSULFANYLPYRIMIDINE5CARBOXYLATE
InChI=1SC16H19N3O3Sc142215(20)13101816(233)1914(13)1791165712(811)212h5810H49H213H3(H171819)
MFCD05156567
ZINC000000383915
ZINC00383915
ZINC383915

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Available files

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