Vitas-M small molecule compound
propan-2-yl (2E)-2-(4-butoxybenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797803
SMILES CCCCOc1ccc(cc1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OC(C)C)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 C29H32N2O5S MW 520.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O5S/c1-6-7-16-35-23-12-8-20(9-13-23)17-24-27(32)31-26(21-10-14-22(34-5)15-11-21)25(28(33)36-18(2)3)19(4)30-29(31)37-24/h8-15,17-18,26H,6-7,16H2,1-5H3/b24-17+InChIKey
RKLNCUOCWFZTNZ-JJIBRWJFSA-NSynonyms
CCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC(C)C)C4=CC=C(C=C4)OC
CCCCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OC(C)C)C
InChI=1SC29H32N2O5Sc16716352312820(91323)172427(32)3126(21101422(345)151121)25(28(33)3618(2)3)19(4)3029(31)3724h815171826H6716H215H3b2417+
MFCD03417171
PROPAN2YL(2E)2((4BUTOXYPHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
propan2yl(2E)2(4butoxybenzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000016699912
ZINC000016699914
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