Vitas-M small molecule compound

ethyl (2E)-2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(4-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK675838
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c3c1cccc3)OC)c(=O)/c(=C\c1cc(n(c1C)c1ccc(cc1)F)C)/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 C34H30FN3O4S MW 595.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30FN3O4S/c1-6-42-33(40)30-20(3)36-34-38(31(30)27-15-16-28(41-5)26-10-8-7-9-25(26)27)32(39)29(43-34)18-22-17-19(2)37(21(22)4)24-13-11-23(35)12-14-24/h7-18,31H,6H2,1-5H3/b29-18+
InChIKey
QZVXWBMKPALUSX-RDRPBHBLSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c3c1cccc3)OC)c(=O)c(=Cc1cc(n(c1C)c1ccc(cc1)F)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C4=CC=CC=C34)OC)C(=O)C(=CC5=C(N(C(=C5)C)C6=CC=C(C=C6)F)C)S2)C
ethyl(2E)2((1(4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5(4methoxynaphthalen1yl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2((1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)5(4METHOXYNAPHTHALEN1YL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL2((1(4FLUOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)5(4METHOXY1NAPHTHYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC34H30FN3O4Sc164233(40)3020(3)363438(31(30)27151628(415)261087925(26)27)32(39)29(4334)18221719(2)37(21(22)4)24131123(35)121424h71831H6H215H3b2918+
MFCD01799867
ZINC000008425547
ZINC000008425548

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Available files

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