Vitas-M small molecule compound

ethyl (2Z)-5-(4-butoxy-3-methoxyphenyl)-2-(4-methoxy-2-methylbenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK105929
SMILES CCCCOc1ccc(cc1OC)C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccc(cc1C)OC)/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 C30H34N2O6S MW 550.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O6S/c1-7-9-14-38-23-13-11-21(16-24(23)36-6)27-26(29(34)37-8-2)19(4)31-30-32(27)28(33)25(39-30)17-20-10-12-22(35-5)15-18(20)3/h10-13,15-17,27H,7-9,14H2,1-6H3/b25-17-
InChIKey
PPPBKPQZHZQFPG-UQQQWYQISA-N
Synonyms

CCCCOC1=C(C=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=C(C=C(C=C4)OC)C)S3)C)C(=O)OCC)OC
CCCCOc1ccc(cc1OC)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(cc1C)OC)s2)C(=O)OCC
ETHYL(2Z)5(4BUTOXY3METHOXYPHENYL)2((4METHOXY2METHYLPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)5(4BUTOXY3METHOXYPHENYL)2(4METHOXY2METHYLBENZYLIDENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC30H34N2O6Sc179143823131121(1624(23)366)2726(29(34)3782)19(4)313032(27)28(33)25(3930)1720101222(355)1518(20)3h1013151727H7914H216H3b2517
MFCD03167916
ZINC000002177407
ZINC000002177409

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Available files

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