Vitas-M small molecule compound
ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-5-(3,4-dimethoxyphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522674
SMILES CCOC(=O)C1=C(N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)/c(=C/c1ccc3c(c1)OCO3)/s2)c1ccccc1
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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 C31H26N2O7S MW 570.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O7S/c1-4-38-30(35)26-27(19-8-6-5-7-9-19)32-31-33(28(26)20-11-13-21(36-2)23(16-20)37-3)29(34)25(41-31)15-18-10-12-22-24(14-18)40-17-39-22/h5-16,28H,4,17H2,1-3H3/b25-15-InChIKey
VEWOVZNVOTYHSB-MYYYXRDXSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)c(=Cc1ccc3c(c1)OCO3)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)C(=CC4=CC5=C(C=C4)OCO5)S2)C6=CC=CC=C6
ethyl(2Z)2(13benzodioxol5ylmethylidene)5(34dimethoxyphenyl)3oxo7phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2(13BENZODIOXOL5YLMETHYLIDENE)5(34DIMETHOXYPHENYL)3OXO7PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL2(13BENZODIOXOL5YLMETHYLENE)5(34DIMETHOXYPHENYL)3OXO7PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H26N2O7Sc143830(35)2627(198657919)323133(28(26)20111321(362)23(1620)373)29(34)25(4131)151810122224(1418)40173922h51628H417H213H3b2515
MFCD01820994
ZINC000002186385
ZINC000002186387
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