Vitas-M small molecule compound

ethyl (2E)-5-[4-(acetyloxy)phenyl]-7-methyl-2-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK726671
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C\c1ccc(o1)c1ccccc1[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 C29H23N3O8S MW 573.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O8S/c1-4-38-28(35)25-16(2)30-29-31(26(25)18-9-11-19(12-10-18)39-17(3)33)27(34)24(41-29)15-20-13-14-23(40-20)21-7-5-6-8-22(21)32(36)37/h5-15,26H,4H2,1-3H3/b24-15+
InChIKey
CVNJVLFGXJRSCB-BUVRLJJBSA-N
Synonyms
324568-19-6
(Z)ethyl5(4acetoxyphenyl)7methyl2((5(2nitrophenyl)furan2yl)methylene)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
324568196
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=Cc1ccc(o1)c1ccccc1(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC(=O)C)C(=O)C(=CC4=CC=C(O4)C5=CC=CC=C5(N+)(=O)(O))S2)C
ethyl(2E)5(4(acetyloxy)phenyl)7methyl2((5(2nitrophenyl)furan2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(4ACETYLOXYPHENYL)7METHYL2((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(4(ACETYLOXY)PHENYL)2((5(2NITROPHENYL)2FURYL)METHYLENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(4ACETOXYPHENYL)7METHYL2((5(2NITROPHENYL)FURAN2YL)METHYLENE)3OXO35DIHYDRO2HTHIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H23N3O8Sc143828(35)2516(2)302931(26(25)1891119(121018)3917(3)33)27(34)24(4129)1520131423(4020)21756822(21)32(36)37h51526H4H213H3b2415+
MFCD01163018
ZINC000008425874
ZINC000008425875

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Available files

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