Vitas-M small molecule compound

3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(prop-2-en-1-ylamino)-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK876687
SMILES C=CCNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc2c(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 C24H20N4O4S2 MW 492.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O4S2/c1-3-8-25-20-16(22(29)27-9-4-5-14(2)21(27)26-20)11-19-23(30)28(24(33)34-19)12-15-6-7-17-18(10-15)32-13-31-17/h3-7,9-11,25H,1,8,12-13H2,2H3/b19-11-
InChIKey
JGJXPHKQBAJRSP-ODLFYWEKSA-N
Synonyms
488087-13-4
(5Z)3(13BENZODIOXOL5YLMETHYL)5((9METHYL4OXO2(PROP2ENYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(allylamino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(benzo(d)(13)dioxol5ylmethyl)2thioxothiazolidin4one
3((Z)(3(13benzodioxol5ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2(prop2en1ylamino)4Hpyrido(12a)pyrimidin4one
488087134
C=CCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)NCC=C
InChI=1SC24H20N4O4S2c138252016(22(29)2794514(2)21(27)2620)111923(30)28(24(33)3419)1215671718(1015)32133117h3791125H181213H22H3b1911
MFCD03287694
ZINC000002324883
ZINC2324883

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Available files

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