Vitas-M small molecule compound

ethyl (2E)-2-(4-fluorobenzylidene)-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK758577
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1c(OC)ccc3c1cccc3)c(=O)/c(=C\c1ccc(cc1)F)/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 C28H23FN2O4S MW 502.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23FN2O4S/c1-4-35-27(33)23-16(2)30-28-31(26(32)22(36-28)15-17-9-12-19(29)13-10-17)25(23)24-20-8-6-5-7-18(20)11-14-21(24)34-3/h5-15,25H,4H2,1-3H3/b22-15+
InChIKey
OYDXUZIRPCCZQH-PXLXIMEGSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1c(OC)ccc3c1cccc3)c(=O)c(=Cc1ccc(cc1)F)s2
CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC4=CC=CC=C43)OC)C(=O)C(=CC5=CC=C(C=C5)F)S2)C
ETHYL(2E)2((4FLUOROPHENYL)METHYLIDENE)5(2METHOXYNAPHTHALEN1YL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)2(4fluorobenzylidene)5(2methoxynaphthalen1yl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2(4FLUOROBENZYLIDENE)5(2METHOXY1NAPHTHYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H23FN2O4Sc143527(33)2316(2)302831(26(32)22(3628)151791219(29)131017)25(23)2420865718(20)111421(24)343h51525H4H213H3b2215+
MFCD01459993
ZINC000006488561
ZINC000006488577

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Available files

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