Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)amino]-3-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK816673
SMILES COCCN1C(=S)S/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cc(cc3)C)/C1=O
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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 C24H22N4O5S2 MW 510.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5S2/c1-14-3-6-20-26-21(25-11-15-4-5-17-18(9-15)33-13-32-17)16(22(29)28(20)12-14)10-19-23(30)27(7-8-31-2)24(34)35-19/h3-6,9-10,12,25H,7-8,11,13H2,1-2H3/b19-10-InChIKey
XYYRFVJJPVVANN-GRSHGNNSSA-NSynonyms
(5Z)5((2(13BENZODIOXOL5YLMETHYLAMINO)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(2METHOXYETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2((13benzodioxol5ylmethyl)amino)3((Z)(3(2methoxyethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl4Hpyrido(12a)pyrimidin4one
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCOC)NCC4=CC5=C(C=C4)OCO5)C=C1
COCCN1C(=S)SC(=Cc2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cc(cc3)C)C1=O
InChI=1SC24H22N4O5S2c11436202621(251115451718(915)33133217)16(22(29)28(20)1214)101923(30)27(78312)24(34)3519h369101225H781113H212H3b1910
MFCD03212831
ZINC000016733626
ZINC16733626
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