Vitas-M small molecule compound

methyl (2E)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK861418
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1cccc(c1)[N+](=O)[O-])/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 C22H17N3O5S MW 435.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O5S/c1-13-18(21(27)30-2)19(15-8-4-3-5-9-15)24-20(26)17(31-22(24)23-13)12-14-7-6-10-16(11-14)25(28)29/h3-12,19H,1-2H3/b17-12+
InChIKey
SMLFIGCFFGPMEB-SFQUDFHCSA-N
Synonyms
300377-33-7
(E)methyl7methyl2(3nitrobenzylidene)3oxo5phenyl35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
300377337
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)(N+)(=O)(O))SC2=N1)C4=CC=CC=C4)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cccc(c1)(N+)(=O)(O))s2
InChI=1SC22H17N3O5Sc11318(21(27)302)19(158435915)2420(26)17(3122(24)2313)1214761016(1114)25(28)29h31219H12H3b1712+
METHYL(2E)7METHYL2((3NITROPHENYL)METHYLIDENE)3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2E)7methyl2(3nitrobenzylidene)3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL7METHYL2((3NITROPHENYL)METHYLENE)3OXO5PHENYL45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
METHYL7METHYL2((3NITROPHENYL)METHYLIDENE)3OXO5PHENYL2H3H5HPYRIMIDO(21B)(13)THIAZOLE6CARBOXYLATE
MFCD00720369
ZINC000008767722
ZINC000008951206

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Available files

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