Vitas-M small molecule compound

ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK804722
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)/c(=C/c1ccc3c(c1)OCO3)/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 C26H25N3O5S MW 491.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5S/c1-5-32-25(31)22-15(2)27-26-29(23(22)17-7-9-18(10-8-17)28(3)4)24(30)21(35-26)13-16-6-11-19-20(12-16)34-14-33-19/h6-13,23H,5,14H2,1-4H3/b21-13-
InChIKey
FYHVLIOHMZQAMS-BKUYFWCQSA-N
Synonyms

(E)ethyl2(benzo(d)(13)dioxol5ylmethylene)5(4(dimethylamino)phenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)c(=Cc1ccc3c(c1)OCO3)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)N(C)C)C(=O)C(=CC4=CC5=C(C=C4)OCO5)S2)C
ethyl(2Z)2(13benzodioxol5ylmethylidene)5(4(dimethylamino)phenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2(13benzodioxol5ylmethylidene)5(4(dimethylamino)phenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2(13BENZODIOXOL5YLMETHYLIDENE)5(4DIMETHYLAMINOPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC26H25N3O5Sc153225(31)2215(2)272629(23(22)177918(10817)28(3)4)24(30)21(3526)13166111920(1216)34143319h61323H514H214H3b2113
MFCD01242043
ZINC000000978833
ZINC000000978835

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Available files

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