Vitas-M small molecule compound

ethyl (2E)-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-phenyl-2-(thiophen-2-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK675079
SMILES CCOC(=O)C1=C(N=c2n(C1c1c(OC)ccc3c1cccc3)c(=O)/c(=C\c1cccs1)/s2)c1ccccc1

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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 C31H24N2O4S2 MW 552.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24N2O4S2/c1-3-37-30(35)26-27(20-11-5-4-6-12-20)32-31-33(29(34)24(39-31)18-21-13-9-17-38-21)28(26)25-22-14-8-7-10-19(22)15-16-23(25)36-2/h4-18,28H,3H2,1-2H3/b24-18+
InChIKey
AGPOAQYDYCZZKE-HKOYGPOVSA-N
Synonyms

CCOC(=O)C1=C(N=c2n(C1c1c(OC)ccc3c1cccc3)c(=O)c(=Cc1cccs1)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC4=CC=CC=C43)OC)C(=O)C(=CC5=CC=CS5)S2)C6=CC=CC=C6
ethyl(2E)5(2methoxynaphthalen1yl)3oxo7phenyl2(thiophen2ylmethylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(2METHOXYNAPHTHALEN1YL)3OXO7PHENYL2(THIOPHEN2YLMETHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(2METHOXY1NAPHTHYL)3OXO7PHENYL2(2THIENYLMETHYLENE)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H24N2O4S2c133730(35)2627(20115461220)323133(29(34)24(3931)1821139173821)28(26)252214871019(22)151623(25)362h41828H3H212H3b2418+
MFCD01572539
ZINC000008425439
ZINC000008425441

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Available files

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