Vitas-M small molecule compound
ethyl (2E)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-(2-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK880468
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(=O)OC)c(=O)/c(=C\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 C25H21N3O7S MW 507.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O7S/c1-4-35-24(31)20-14(2)26-25-27(21(20)15-9-11-16(12-10-15)23(30)34-3)22(29)19(36-25)13-17-7-5-6-8-18(17)28(32)33/h5-13,21H,4H2,1-3H3/b19-13+InChIKey
SCPNQIVSYINRIW-CPNJWEJPSA-NSynonyms
609795-94-0609795940
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(=O)OC)c(=O)c(=Cc1ccccc1(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C(=O)OC)C(=O)C(=CC4=CC=CC=C4(N+)(=O)(O))S2)C
ethyl(2E)5(4(methoxycarbonyl)phenyl)7methyl2(2nitrobenzylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4methoxycarbonylphenyl)7methyl2((2nitrophenyl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL5(4(METHOXYCARBONYL)PHENYL)7METHYL2(2NITROBENZYLIDENE)3OXO35DIHYDRO2HTHIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H21N3O7Sc143524(31)2014(2)262527(21(20)1591116(121015)23(30)343)22(29)19(3625)1317756818(17)28(32)33h51321H4H213H3b1913+
MFCD04441156
ZINC000016711762
ZINC000016711764
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