Vitas-M small molecule compound

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

Catalog ID
STK704453
SMILES CC(CN1C(=S)S/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cc(cc3)C)/C1=O)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 C25H24N4O4S2 MW 508.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4S2/c1-14(2)11-29-24(31)20(35-25(29)34)9-17-22(27-21-7-4-15(3)12-28(21)23(17)30)26-10-16-5-6-18-19(8-16)33-13-32-18/h4-9,12,14,26H,10-11,13H2,1-3H3/b20-9-
InChIKey
ZFNDUFKENXCLOJ-UKWGHVSLSA-N
Synonyms

(5Z)5((2(13BENZODIOXOL5YLMETHYLAMINO)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(2METHYLPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2((13benzodioxol5ylmethyl)amino)7methyl3((Z)(3(2methylpropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC(CN1C(=S)SC(=Cc2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cc(cc3)C)C1=O)C
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC(C)C)NCC4=CC5=C(C=C4)OCO5)C=C1
InChI=1SC25H24N4O4S2c114(2)112924(31)20(3525(29)34)91722(27217415(3)1228(21)23(17)30)261016561819(816)33133218h49121426H101113H213H3b209
MFCD03212828
ZINC000016734305
ZINC16734305

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Available files

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