Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)amino]-3-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK823665
SMILES CCN1C(=S)S/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cccc3)/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 C22H18N4O4S2 MW 466.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O4S2/c1-2-25-21(28)17(32-22(25)31)10-14-19(24-18-5-3-4-8-26(18)20(14)27)23-11-13-6-7-15-16(9-13)30-12-29-15/h3-10,23H,2,11-12H2,1H3/b17-10-InChIKey
BRTZVDAQAOPRJP-YVLHZVERSA-NSynonyms
(5Z)5((2(13BENZODIOXOL5YLMETHYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3ETHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2((13benzodioxol5ylmethyl)amino)3((Z)(3ethyl4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)NCC4=CC5=C(C=C4)OCO5)SC1=S
CCN1C(=S)SC(=Cc2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cccc3)C1=O
InChI=1SC22H18N4O4S2c122521(28)17(3222(25)31)101419(2418534826(18)20(14)27)231113671516(913)30122915h31023H21112H21H3b1710
MFCD03212783
ZINC000027020585
ZINC27020585
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