Vitas-M small molecule compound
ethyl (2E)-2-[3,5-dibromo-4-(prop-2-en-1-yloxy)benzylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK674581
SMILES C=CCOc1c(Br)cc(cc1Br)/C=c\1/sc2=NC(=C(C(n2c1=O)c1c(OC)ccc2c1cccc2)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 C31H26Br2N2O5S MW 698.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26Br2N2O5S/c1-5-13-40-28-21(32)14-18(15-22(28)33)16-24-29(36)35-27(25(30(37)39-6-2)17(3)34-31(35)41-24)26-20-10-8-7-9-19(20)11-12-23(26)38-4/h5,7-12,14-16,27H,1,6,13H2,2-4H3/b24-16+InChIKey
IVTACEYAUFNDHX-LFVJCYFKSA-NSynonyms
C=CCOc1c(Br)cc(cc1Br)C=c1sc2=NC(=C(C(n2c1=O)c1c(OC)ccc2c1cccc2)C(=O)OCC)C
CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC4=CC=CC=C43)OC)C(=O)C(=CC5=CC(=C(C(=C5)Br)OCC=C)Br)S2)C
ETHYL(2E)2((35DIBROMO4PROP2ENOXYPHENYL)METHYLIDENE)5(2METHOXYNAPHTHALEN1YL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)2(35dibromo4(prop2en1yloxy)benzylidene)5(2methoxynaphthalen1yl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2(4(ALLYLOXY)35DIBROMOBENZYLIDENE)5(2METHOXY1NAPHTHYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H26Br2N2O5Sc1513402821(32)1418(1522(28)33)162429(36)3527(25(30(37)3962)17(3)3431(35)4124)26201087919(20)111223(26)384h5712141627H1613H224H3b2416+
MFCD01460002
ZINC000008424464
ZINC000008424467
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