Vitas-M small molecule compound
ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-{4-[(2-chlorobenzyl)oxy]-3-ethoxybenzylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK534061
SMILES CCOc1cc(ccc1OCc1ccccc1Cl)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc2c(c1)OCO2)C(=O)OCC)C
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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 C33H29ClN2O7S MW 633.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29ClN2O7S/c1-4-39-26-14-20(10-12-24(26)41-17-22-8-6-7-9-23(22)34)15-28-31(37)36-30(21-11-13-25-27(16-21)43-18-42-25)29(32(38)40-5-2)19(3)35-33(36)44-28/h6-16,30H,4-5,17-18H2,1-3H3/b28-15+InChIKey
QFLWFGXMQXWXEX-RWPZCVJISA-NSynonyms
(E)ethyl5(benzo(d)(13)dioxol5yl)2(4((2chlorobenzyl)oxy)3ethoxybenzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC5=C(C=C4)OCO5)OCC6=CC=CC=C6Cl
CCOc1cc(ccc1OCc1ccccc1Cl)C=c1sc2=NC(=C(C(n2c1=O)c1ccc2c(c1)OCO2)C(=O)OCC)C
ETHYL(2E)5(13BENZODIOXOL5YL)2((4((2CHLOROPHENYL)METHOXY)3ETHOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)5(13benzodioxol5yl)2(4((2chlorobenzyl)oxy)3ethoxybenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC33H29ClN2O7Sc1439261420(101224(26)411722867923(22)34)152831(37)3630(2111132527(1621)43184225)29(32(38)4052)19(3)3533(36)4428h61630H451718H213H3b2815+
MFCD02162119
ZINC000097966466
ZINC000097966467
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