Vitas-M small molecule compound
ethyl (2E)-2-(4-methoxybenzylidene)-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK833586
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)[N+](=O)[O-])c(=O)/c(=C\c1ccc(cc1)OC)/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 C24H21N3O6S MW 479.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O6S/c1-4-33-23(29)20-14(2)25-24-26(21(20)16-6-5-7-17(13-16)27(30)31)22(28)19(34-24)12-15-8-10-18(32-3)11-9-15/h5-13,21H,4H2,1-3H3/b19-12+InChIKey
KSQVGUKCLLONJS-XDHOZWIPSA-NSynonyms
300377-54-2(E)ethyl2(4methoxybenzylidene)7methyl5(3nitrophenyl)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
300377542
CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)(N+)(=O)(O))c(=O)c(=Cc1ccc(cc1)OC)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)C(=CC4=CC=C(C=C4)OC)S2)C
ETHYL(2E)2((4METHOXYPHENYL)METHYLIDENE)7METHYL5(3NITROPHENYL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)2(4methoxybenzylidene)7methyl5(3nitrophenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2((4METHOXYPHENYL)METHYLENE)7METHYL5(3NITROPHENYL)3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC24H21N3O6Sc143323(29)2014(2)252426(21(20)1665717(1316)27(30)31)22(28)19(3424)121581018(323)11915h51321H4H213H3b1912+
MFCD01072346
ZINC000008809429
ZINC000008965103
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