Vitas-M small molecule compound
ethyl (2E)-5-(2-ethoxyphenyl)-7-methyl-3-oxo-2-[4-(prop-2-yn-1-yloxy)benzylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK121747
SMILES C#CCOc1ccc(cc1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccccc1OCC)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 C28H26N2O5S MW 502.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O5S/c1-5-16-35-20-14-12-19(13-15-20)17-23-26(31)30-25(21-10-8-9-11-22(21)33-6-2)24(27(32)34-7-3)18(4)29-28(30)36-23/h1,8-15,17,25H,6-7,16H2,2-4H3/b23-17+InChIKey
SLBUQXXGWBEPLO-HAVVHWLPSA-NSynonyms
C#CCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1ccccc1OCC)C(=O)OCC)C
CCOC1=CC=CC=C1C2C(=C(N=C3N2C(=O)C(=CC4=CC=C(C=C4)OCC#C)S3)C)C(=O)OCC
ethyl(2E)5(2ethoxyphenyl)7methyl3oxo2((4prop2ynoxyphenyl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(2ETHOXYPHENYL)7METHYL3OXO2(4(PROP2YN1YLOXY)BENZYLIDENE)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(2ETHOXYPHENYL)7METHYL3OXO2(4(2PROPYNYLOXY)BENZYLIDENE)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H26N2O5Sc15163520141219(131520)172326(31)3025(2110891122(21)3362)24(27(32)3473)18(4)2928(30)3623h18151725H6716H224H3b2317+
MFCD04151524
ZINC000008400343
ZINC000008400346
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