Vitas-M small molecule compound

ethyl [1-(3-{(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate

Catalog ID
STK798909
SMILES CCOC(=O)CC1C(=O)NCCN1c1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccco1

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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 C25H23N5O6S2 MW 553.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O6S2/c1-2-35-20(31)13-17-22(32)26-8-10-28(17)21-16(23(33)29-9-4-3-7-19(29)27-21)12-18-24(34)30(25(37)38-18)14-15-6-5-11-36-15/h3-7,9,11-12,17H,2,8,10,13-14H2,1H3,(H,26,32)/b18-12-
InChIKey
AZSBSEZMXJSLNI-PDGQHHTCSA-N
Synonyms

CCOC(=O)CC1C(=O)NCCN1C2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CC5=CC=CO5
ethyl(1(3((Z)(3(furan2ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)3oxopiperazin2yl)acetate
ETHYL2(1(3((Z)(3(FURAN2YLMETHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)4OXOPYRIDO(12A)PYRIMIDIN2YL)3OXOPIPERAZIN2YL)ACETATE
InChI=1SC25H23N5O6S2c123520(31)131722(32)2681028(17)2116(23(33)29943719(29)2721)121824(34)30(25(37)3818)141565113615h379111217H28101314H21H3(H2632)b1812
MFCD03462135
ZINC000097946200
ZINC000097946201

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Available files

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