Vitas-M small molecule compound

3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-(4-methylpiperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK794063
SMILES CC1CCN(CC1)c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)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 C27H26N4O4S2 MW 534.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O4S2/c1-16-7-9-29(10-8-16)24-19(25(32)30-13-17(2)3-6-23(30)28-24)12-22-26(33)31(27(36)37-22)14-18-4-5-20-21(11-18)35-15-34-20/h3-6,11-13,16H,7-10,14-15H2,1-2H3/b22-12-
InChIKey
UEDRBAUBGOHYTB-UUYOSTAYSA-N
Synonyms
487036-84-0
(5Z)3(13BENZODIOXOL5YLMETHYL)5((7METHYL2(4METHYLPIPERIDIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(benzo(d)(13)dioxol5ylmethyl)5((7methyl2(4methylpiperidin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(13benzodioxol5ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl2(4methylpiperidin1yl)4Hpyrido(12a)pyrimidin4one
487036840
CC1CCN(CC1)c1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)C
CC1CCN(CC1)C2=C(C(=O)N3C=C(C=CC3=N2)C)C=C4C(=O)N(C(=S)S4)CC5=CC6=C(C=C5)OCO6
InChI=1SC27H26N4O4S2c1167929(10816)2419(25(32)301317(2)3623(30)2824)122226(33)31(27(36)3722)1418452021(1118)35153420h36111316H7101415H212H3b2212
MFCD03287336
ZINC000100831010
ZINC100831010

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Available files

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