Vitas-M small molecule compound
ethyl (2Z)-2-(2-hydroxy-3-nitrobenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK362317
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cccc(c1O)[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 C24H21N3O7S MW 495.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O7S/c1-4-34-23(30)19-13(2)25-24-26(20(19)14-8-10-16(33-3)11-9-14)22(29)18(35-24)12-15-6-5-7-17(21(15)28)27(31)32/h5-12,20,28H,4H2,1-3H3/b18-12-InChIKey
NDSSTYXKWDQIKJ-PDGQHHTCSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cccc(c1O)(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=C(C(=CC=C4)(N+)(=O)(O))O)S2)C
ETHYL(2Z)2((2HYDROXY3NITROPHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2(2HYDROXY3NITROBENZYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC24H21N3O7Sc143423(30)1913(2)252426(20(19)1481016(333)11914)22(29)18(3524)121565717(21(15)28)27(31)32h5122028H4H213H3b1812
MFCD02632179
ZINC000002139845
ZINC000002139850
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