Vitas-M small molecule compound

2-[(1,3-benzodioxol-5-ylmethyl)amino]-3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK816402
SMILES COCCCN1C(=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 C25H24N4O5S2 MW 524.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O5S2/c1-15-4-7-21-27-22(26-12-16-5-6-18-19(10-16)34-14-33-18)17(23(30)29(21)13-15)11-20-24(31)28(25(35)36-20)8-3-9-32-2/h4-7,10-11,13,26H,3,8-9,12,14H2,1-2H3/b20-11-
InChIKey
VMLVQMQPMZXNEV-JAIQZWGSSA-N
Synonyms

(5Z)5((2(13BENZODIOXOL5YLMETHYLAMINO)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(3METHOXYPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2((13benzodioxol5ylmethyl)amino)3((Z)(3(3methoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl4Hpyrido(12a)pyrimidin4one
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCOC)NCC4=CC5=C(C=C4)OCO5)C=C1
COCCCN1C(=S)SC(=Cc2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cc(cc3)C)C1=O
InChI=1SC25H24N4O5S2c11547212722(261216561819(1016)34143318)17(23(30)29(21)1315)112024(31)28(25(35)3620)839322h4710111326H3891214H212H3b2011
MFCD03212832
ZINC000100762834
ZINC100762834

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Available files

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