Vitas-M small molecule compound

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

Catalog ID
STK742428
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cc(OC)ccc1OC)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 C26H24N2O7S MW 508.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O7S/c1-5-33-25(30)22-14(2)27-26-28(23(22)17-12-16(31-3)7-9-18(17)32-4)24(29)21(36-26)11-15-6-8-19-20(10-15)35-13-34-19/h6-12,23H,5,13H2,1-4H3/b21-11-
InChIKey
OLHWOCDKJXJGIT-NHDPSOOVSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1cc(OC)ccc1OC)c(=O)c(=Cc1ccc3c(c1)OCO3)s2
CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC(=C3)OC)OC)C(=O)C(=CC4=CC5=C(C=C4)OCO5)S2)C
ethyl(2Z)2(13benzodioxol5ylmethylidene)5(25dimethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2(13BENZODIOXOL5YLMETHYLIDENE)5(25DIMETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC26H24N2O7Sc153325(30)2214(2)272628(23(22)171216(313)7918(17)324)24(29)21(3626)1115681920(1015)35133419h61223H513H214H3b2111
MFCD01592142
ZINC000000706685
ZINC000000706687

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Available files

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