Vitas-M small molecule compound
methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK794299
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C/c1ccc(o1)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 C28H21N3O8S MW 559.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O8S/c1-15-24(27(34)37-3)25(17-7-9-20(10-8-17)38-16(2)32)30-26(33)23(40-28(30)29-15)14-21-11-12-22(39-21)18-5-4-6-19(13-18)31(35)36/h4-14,25H,1-3H3/b23-14-InChIKey
CPQKIQGADWPQIP-UCQKPKSFSA-NSynonyms
(E)methyl5(4acetoxyphenyl)7methyl2((5(3nitrophenyl)furan2yl)methylene)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)(N+)(=O)(O))SC2=N1)C5=CC=C(C=C5)OC(=O)C)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))s2
InChI=1SC28H21N3O8Sc11524(27(34)373)25(177920(10817)3816(2)32)3026(33)23(4028(30)2915)1421111222(3921)1854619(1318)31(35)36h41425H13H3b2314
methyl(2Z)5(4(acetyloxy)phenyl)7methyl2((5(3nitrophenyl)furan2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)5(4ACETYLOXYPHENYL)7METHYL2((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD13372477
ZINC000002967518
ZINC000002967523
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