Vitas-M small molecule compound
ethyl (2Z)-5-(3,4-dimethoxyphenyl)-7-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL388609
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)/c(=C/c1cc3OCOc3cc1C)/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 C27H26N2O7S MW 522.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O7S/c1-6-34-26(31)23-15(3)28-27-29(24(23)16-7-8-18(32-4)19(10-16)33-5)25(30)22(37-27)12-17-11-21-20(9-14(17)2)35-13-36-21/h7-12,24H,6,13H2,1-5H3/b22-12-InChIKey
JHUPRZUSAHOVJI-UUYOSTAYSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)c(=Cc1cc3OCOc3cc1C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)C(=CC4=CC5=C(C=C4C)OCO5)S2)C
ethyl(2Z)5(34dimethoxyphenyl)7methyl2((6methyl13benzodioxol5yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)5(34dimethoxyphenyl)7methyl2((6methyl13benzodioxol5yl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC27H26N2O7Sc163426(31)2315(3)282729(24(23)167818(324)19(1016)335)25(30)22(3727)1217112120(914(17)2)35133621h71224H613H215H3b2212
MFCD07546797
ZINC000096190218
ZINC000096190219
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