Vitas-M small molecule compound

ethyl (2Z)-2-[4-(2-ethoxy-2-oxoethoxy)-3-methoxybenzylidene]-7-methyl-3-oxo-5-(2-propoxyphenyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK110480
SMILES CCCOc1ccccc1C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccc(c(c1)OC)OCC(=O)OCC)/s2)C(=O)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 C31H34N2O8S MW 594.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O8S/c1-6-15-40-22-12-10-9-11-21(22)28-27(30(36)39-8-3)19(4)32-31-33(28)29(35)25(42-31)17-20-13-14-23(24(16-20)37-5)41-18-26(34)38-7-2/h9-14,16-17,28H,6-8,15,18H2,1-5H3/b25-17-
InChIKey
KKUJVUBPSQNPSO-UQQQWYQISA-N
Synonyms

CCCOC1=CC=CC=C1C2C(=C(N=C3N2C(=O)C(=CC4=CC(=C(C=C4)OCC(=O)OCC)OC)S3)C)C(=O)OCC
CCCOc1ccccc1C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(c(c1)OC)OCC(=O)OCC)s2)C(=O)OCC
ETHYL(2Z)2((4(2ETHOXY2OXOETHOXY)3METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5(2PROPOXYPHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2(4(2ETHOXY2OXOETHOXY)3METHOXYBENZYLIDENE)7METHYL3OXO5(2PROPOXYPHENYL)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H34N2O8Sc16154022121091121(22)2827(30(36)3983)19(4)323133(28)29(35)25(4231)1720131423(24(1620)375)411826(34)3872h914161728H681518H215H3b2517
MFCD03167913
ZINC000097959586
ZINC000097959587

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Available files

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