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-(prop-2-en-1-ylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK810038
SMILES C=CCNc1nc2ccc(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 C24H20N4O4S2 MW 492.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O4S2/c1-3-8-25-21-16(22(29)27-11-14(2)4-7-20(27)26-21)10-19-23(30)28(24(33)34-19)12-15-5-6-17-18(9-15)32-13-31-17/h3-7,9-11,25H,1,8,12-13H2,2H3/b19-10-InChIKey
MWWFYZCDVXQVQR-GRSHGNNSSA-NSynonyms
442868-49-7(5Z)3(13BENZODIOXOL5YLMETHYL)5((7METHYL4OXO2(PROP2ENYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(allylamino)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(benzo(d)(13)dioxol5ylmethyl)2thioxothiazolidin4one
3((Z)(3(13benzodioxol5ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl2(prop2en1ylamino)4Hpyrido(12a)pyrimidin4one
3(2HBENZO(34D)13DIOXOLAN5YLMETHYL)5((7METHYL4OXO2(PROP2ENYLAMINO)(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)2THIOXO13THIAZOLIDIN4ONE
442868497
C=CCNc1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)C
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)NCC=C)C=C1
InChI=1SC24H20N4O4S2c138252116(22(29)271114(2)4720(27)2621)101923(30)28(24(33)3419)1215561718(915)32133117h3791125H181213H22H3b1910
MFCD03462347
ZINC000002672005
ZINC02672005
ZINC2672005
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