Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)amino]-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK817272
SMILES S=C1S/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cccc3)/C(=O)N1CC1CCCO1
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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 C25H22N4O5S2 MW 522.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O5S2/c30-23-17(11-20-24(31)29(25(35)36-20)13-16-4-3-9-32-16)22(27-21-5-1-2-8-28(21)23)26-12-15-6-7-18-19(10-15)34-14-33-18/h1-2,5-8,10-11,16,26H,3-4,9,12-14H2/b20-11-InChIKey
SOKMVISXILWBFB-JAIQZWGSSA-NSynonyms
(5Z)5((2(13BENZODIOXOL5YLMETHYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2((13benzodioxol5ylmethyl)amino)3((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
C1CC(OC1)CN2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)NCC5=CC6=C(C=C5)OCO6)SC2=S
InChI=1SC25H22N4O5S2c302317(112024(31)29(25(35)3620)13164393216)22(2721512828(21)23)261215671819(1015)34143318h125810111626H3491214H2b2011
MFCD03212798
S=C1SC(=Cc2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cccc3)C(=O)N1CC1CCCO1
ZINC000100762783
ZINC000100762786
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