Vitas-M small molecule compound

ethyl (2Z)-5-(2,5-dimethoxyphenyl)-3-oxo-7-propyl-2-(pyridin-3-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK085908
SMILES CCOC(=O)C1=C(CCC)N=c2n(C1c1cc(OC)ccc1OC)c(=O)/c(=C/c1cccnc1)/s2

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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 C26H27N3O5S MW 493.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O5S/c1-5-8-19-22(25(31)34-6-2)23(18-14-17(32-3)10-11-20(18)33-4)29-24(30)21(35-26(29)28-19)13-16-9-7-12-27-15-16/h7,9-15,23H,5-6,8H2,1-4H3/b21-13-
InChIKey
QYIZPCSLPHDUSP-BKUYFWCQSA-N
Synonyms

CCCC1=C(C(N2C(=O)C(=CC3=CN=CC=C3)SC2=N1)C4=C(C=CC(=C4)OC)OC)C(=O)OCC
CCOC(=O)C1=C(CCC)N=c2n(C1c1cc(OC)ccc1OC)c(=O)c(=Cc1cccnc1)s2
ETHYL(2Z)5(25DIMETHOXYPHENYL)3OXO7PROPYL2(PYRIDIN3YLMETHYLIDENE)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)5(25DIMETHOXYPHENYL)3OXO7PROPYL2(PYRIDIN3YLMETHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(25DIMETHOXYPHENYL)3OXO7PROPYL2(3PYRIDINYLMETHYLENE)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC26H27N3O5Sc1581922(25(31)3462)23(181417(323)101120(18)334)2924(30)21(3526(29)2819)13169712271516h791523H568H214H3b2113
MFCD02640984
STK085908
ZINC000008445236
ZINC000008445237

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Available files

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