Vitas-M small molecule compound

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

Catalog ID
STK704452
SMILES Cc1ccc2n(c1)c(=O)c(c(n2)NCc1ccc2c(c1)OCO2)/C=C/1\SC(=S)N(C1=O)CCc1ccccc1

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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 C29H24N4O4S2 MW 556.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N4O4S2/c1-18-7-10-25-31-26(30-15-20-8-9-22-23(13-20)37-17-36-22)21(27(34)33(25)16-18)14-24-28(35)32(29(38)39-24)12-11-19-5-3-2-4-6-19/h2-10,13-14,16,30H,11-12,15,17H2,1H3/b24-14-
InChIKey
OPWOYFBPGRODFW-OYKKKHCWSA-N
Synonyms

(5Z)5((2(13benzodioxol5ylmethylamino)7methyl4oxopyrido(12a)pyrimidin3yl)methylidene)3(2phenylethyl)2sulfanylidene13thiazolidin4one
(5Z)5((2(13BENZODIOXOL5YLMETHYLAMINO)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PHENETHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2((13benzodioxol5ylmethyl)amino)7methyl3((Z)(4oxo3(2phenylethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC4=CC=CC=C4)NCC5=CC6=C(C=C5)OCO6)C=C1
Cc1ccc2n(c1)c(=O)c(c(n2)NCc1ccc2c(c1)OCO2)C=C1SC(=S)N(C1=O)CCc1ccccc1
InChI=1SC29H24N4O4S2c118710253126(301520892223(1320)37173622)21(27(34)33(25)1618)142428(35)32(29(38)3924)1211195324619h21013141630H11121517H21H3b2414
MFCD03212834
ZINC000100762845
ZINC100762845

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Available files

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