Vitas-M small molecule compound
ethyl (2Z)-7-methyl-2-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK868681
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1ccc(o1)c1ccc(cc1)[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)18-7-5-4-6-8-18)25(31)22(37-27)15-20-13-14-21(36-20)17-9-11-19(12-10-17)30(33)34/h4-15,24H,3H2,1-2H3/b22-15-InChIKey
MGUSCCPXVFAJDC-JCMHNJIXSA-NSynonyms
(E)ethyl7methyl2((5(4nitrophenyl)furan2yl)methylene)3oxo5phenyl35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(o1)c1ccc(cc1)(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC=C(O4)C5=CC=C(C=C5)(N+)(=O)(O))S2)C
ethyl(2Z)7methyl2((5(4nitrophenyl)furan2yl)methylidene)3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)7METHYL2((5(4NITROPHENYL)FURAN2YL)METHYLIDENE)3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H21N3O6Sc133526(32)2316(2)282729(24(23)187546818)25(31)22(3727)1520131421(3620)1791119(121017)30(33)34h41524H3H212H3b2215
MFCD01061672
ZINC000001906499
ZINC000001906506
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