Vitas-M small molecule compound
ethyl (2Z)-2-[3-chloro-5-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL164224
SMILES C#CCOc1c(Cl)cc(cc1OCC)/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC)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 C30H29ClN2O7S MW 597.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29ClN2O7S/c1-7-12-40-27-20(31)13-18(14-23(27)38-8-2)15-24-28(34)33-26(19-10-11-21(36-5)22(16-19)37-6)25(29(35)39-9-3)17(4)32-30(33)41-24/h1,10-11,13-16,26H,8-9,12H2,2-6H3/b24-15-InChIKey
JISSXJZSOHZXIV-IWIPYMOSSA-NSynonyms
C#CCOc1c(Cl)cc(cc1OCC)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC)C(=O)OCC)C
CCOC1=C(C(=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC(=C(C=C4)OC)OC)Cl)OCC#C
ETHYL(2Z)2((3CHLORO5ETHOXY4PROP2YNOXYPHENYL)METHYLIDENE)5(34DIMETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(3chloro5ethoxy4(prop2yn1yloxy)benzylidene)5(34dimethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2(3CHLORO5ETHOXY4(2PROPYNYLOXY)BENZYLIDENE)5(34DIMETHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC30H29ClN2O7Sc1712402720(31)1318(1423(27)3882)152428(34)3326(19101121(365)22(1619)376)25(29(35)3993)17(4)3230(33)4124h11011131626H8912H226H3b2415
MFCD02632060
ZINC000002175851
ZINC000002175853
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