Vitas-M small molecule compound

ethyl 4-(4-ethoxy-3-methoxyphenyl)-2-oxo-6-(thiomorpholin-4-ylmethyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STL107710
SMILES CCOC(=O)C1=C(CN2CCSCC2)NC(=O)NC1c1ccc(c(c1)OC)OCC

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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 C21H29N3O5S MW 435.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O5S/c1-4-28-16-7-6-14(12-17(16)27-3)19-18(20(25)29-5-2)15(22-21(26)23-19)13-24-8-10-30-11-9-24/h6-7,12,19H,4-5,8-11,13H2,1-3H3,(H2,22,23,26)
InChIKey
RMQVNWMKCKCPLW-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)CN3CCSCC3)C(=O)OCC)OC
ethyl4(4ethoxy3methoxyphenyl)2oxo6(thiomorpholin4ylmethyl)1234tetrahydropyrimidine5carboxylate
ethyl4(4ethoxy3methoxyphenyl)2oxo6(thiomorpholin4ylmethyl)34dihydro1Hpyrimidine5carboxylate
InChI=1SC21H29N3O5Sc1428167614(1217(16)273)1918(20(25)2952)15(2221(26)2319)13248103011924h671219H4581113H213H3(H2222326)
MFCD20741638
ZINC000067286738
ZINC000067286741

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Available files

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