Vitas-M small molecule compound

ethyl (2E)-5-(1,3-benzodioxol-5-yl)-7-methyl-2-{[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STL388539
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C\c1ccc(o1)N1CCN(CC1)C)/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 C27H28N4O6S MW 536.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O6S/c1-4-34-26(33)23-16(2)28-27-31(24(23)17-5-7-19-20(13-17)36-15-35-19)25(32)21(38-27)14-18-6-8-22(37-18)30-11-9-29(3)10-12-30/h5-8,13-14,24H,4,9-12,15H2,1-3H3/b21-14+
InChIKey
ZVDXJYALDKTVHK-KGENOOAVSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1ccc(o1)N1CCN(CC1)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC=C(O5)N6CCN(CC6)C)S2)C
ethyl(2E)5(13benzodioxol5yl)7methyl2((5(4methylpiperazin1yl)furan2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(13benzodioxol5yl)7methyl2((5(4methylpiperazin1yl)furan2yl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC27H28N4O6Sc143426(33)2316(2)282731(24(23)17571920(1317)36153519)25(32)21(3827)14186822(3718)3011929(3)101230h58131424H491215H213H3b2114+
MFCD06239336
ZINC000008767068
ZINC000008767077

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.