Vitas-M small molecule compound

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

Catalog ID
STK861359
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)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 C24H19ClN2O5S MW 482.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClN2O5S/c1-3-30-23(29)20-13(2)26-24-27(21(20)15-6-4-5-7-16(15)25)22(28)19(33-24)11-14-8-9-17-18(10-14)32-12-31-17/h4-11,21H,3,12H2,1-2H3/b19-11+
InChIKey
CSCAMFFOBRJNCB-YBFXNURJSA-N
Synonyms
321975-59-1
(E)ethyl2(benzo(d)(13)dioxol5ylmethylene)5(2chlorophenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
321975591
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)c(=Cc1ccc3c(c1)OCO3)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)C(=CC4=CC5=C(C=C4)OCO5)S2)C
ethyl(2E)2(13benzodioxol5ylmethylidene)5(2chlorophenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2(13BENZODIOXOL5YLMETHYLIDENE)5(2CHLOROPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC24H19ClN2O5Sc133023(29)2013(2)262427(21(20)15645716(15)25)22(28)19(3324)1114891718(1014)32123117h41121H312H212H3b1911+
MFCD00722477
ZINC000009183541
ZINC000009183542

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Available files

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