Vitas-M small molecule compound
ethyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-(4-ethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798157
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)/c(=C\c1ccc(cc1)OCC)/s2
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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 C28H28N2O7S MW 536.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O7S/c1-6-35-20-11-8-18(9-12-20)14-23-26(32)30-25(19-10-13-21(37-17(4)31)22(15-19)34-5)24(27(33)36-7-2)16(3)29-28(30)38-23/h8-15,25H,6-7H2,1-5H3/b23-14+InChIKey
AIKKBHZJBNYDBO-OEAKJJBVSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1ccc(cc1)OCC)s2
CCOC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC(=C(C=C4)OC(=O)C)OC
ethyl(2E)5(4(acetyloxy)3methoxyphenyl)2(4ethoxybenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(4ACETYLOXY3METHOXYPHENYL)2((4ETHOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H28N2O7Sc16352011818(91220)142326(32)3025(19101321(3717(4)31)22(1519)345)24(27(33)3672)16(3)2928(30)3823h81525H67H215H3b2314+
MFCD03417567
ZINC000000634974
ZINC000000634976
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