Vitas-M small molecule compound
3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-benzylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK816444
SMILES S=C1S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)Cc2ccccc2)/C(=O)N1Cc1ccc2c(c1)OCO2
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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 C31H27N5O4S2 MW 597.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N5O4S2/c37-29-23(17-26-30(38)36(31(41)42-26)19-22-9-10-24-25(16-22)40-20-39-24)28(32-27-8-4-5-11-35(27)29)34-14-12-33(13-15-34)18-21-6-2-1-3-7-21/h1-11,16-17H,12-15,18-20H2/b26-17-InChIKey
GEOKHSCHUUMNRL-ONUIUJJFSA-NSynonyms
(5Z)3(13BENZODIOXOL5YLMETHYL)5((2(4BENZYLPIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(13benzodioxol5ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(4benzylpiperazin1yl)4Hpyrido(12a)pyrimidin4one
C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=N3)C=C5C(=O)N(C(=S)S5)CC6=CC7=C(C=C6)OCO7
InChI=1SC31H27N5O4S2c372923(172630(38)36(31(41)4226)19229102425(1622)40203924)28(32278451135(27)29)34141233(131534)18216213721h1111617H12151820H2b2617
MFCD04562374
S=C1SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)Cc2ccccc2)C(=O)N1Cc1ccc2c(c1)OCO2
ZINC000029747552
ZINC29747552
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