Vitas-M small molecule compound
ethyl (2Z)-7-methyl-5-(4-methylphenyl)-3-oxo-2-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL484837
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)/c(=C/c1ccc(o1)N1CCCCC1)/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 C27H29N3O4S MW 491.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4S/c1-4-33-26(32)23-18(3)28-27-30(24(23)19-10-8-17(2)9-11-19)25(31)21(35-27)16-20-12-13-22(34-20)29-14-6-5-7-15-29/h8-13,16,24H,4-7,14-15H2,1-3H3/b21-16-InChIKey
GZZCKEIPAFHIRO-PGMHBOJBSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)c(=Cc1ccc(o1)N1CCCCC1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C)C(=O)C(=CC4=CC=C(O4)N5CCCCC5)S2)C
ethyl(2Z)7methyl5(4methylphenyl)3oxo2((5(piperidin1yl)furan2yl)methylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)7methyl5(4methylphenyl)3oxo2((5piperidin1ylfuran2yl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC27H29N3O4Sc143326(32)2318(3)282730(24(23)1910817(2)91119)25(31)21(3527)1620121322(3420)29146571529h8131624H471415H213H3b2116
MFCD30713725
ZINC000002076252
ZINC000002076254
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