Vitas-M small molecule compound

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

Catalog ID
STK726647
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)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 C27H21N3O6S MW 515.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O6S/c1-3-35-26(32)23-16(2)28-27-29(24(23)17-9-5-4-6-10-17)25(31)22(37-27)15-18-13-14-21(36-18)19-11-7-8-12-20(19)30(33)34/h4-15,24H,3H2,1-2H3/b22-15+
InChIKey
KHVYAHMGLHLODJ-PXLXIMEGSA-N
Synonyms
324566-54-3
(Z)ethyl7methyl2((5(2nitrophenyl)furan2yl)methylene)3oxo5phenyl35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
324566543
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(o1)c1ccccc1(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC=C(O4)C5=CC=CC=C5(N+)(=O)(O))S2)C
ethyl(2E)7methyl2((5(2nitrophenyl)furan2yl)methylidene)3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)7methyl2((5(2nitrophenyl)furan2yl)methylidene)3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL7METHYL2((5(2NITROPHENYL)FURAN2YL)METHYLENE)3OXO5PHENYL35DIHYDRO2HTHIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H21N3O6Sc133526(32)2316(2)282729(24(23)1795461017)25(31)22(3727)1518131421(3618)1911781220(19)30(33)34h41524H3H212H3b2215+
MFCD01794224
ZINC000033400210
ZINC000033400212

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Available files

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