Vitas-M small molecule compound

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK811541
SMILES COCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)Cc2ccc3c(c2)OCO3)/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 C28H29N5O5S2 MW 579.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O5S2/c1-18-4-3-7-32-24(18)29-25(20(26(32)34)15-23-27(35)33(12-13-36-2)28(39)40-23)31-10-8-30(9-11-31)16-19-5-6-21-22(14-19)38-17-37-21/h3-7,14-15H,8-13,16-17H2,1-2H3/b23-15-
InChIKey
GARAFDIYSZNFSQ-HAHDFKILSA-N
Synonyms

(5Z)5((2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(2METHOXYETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4(13benzodioxol5ylmethyl)piperazin1yl)3((Z)(3(2methoxyethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCOC)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6
COCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)Cc2ccc3c(c2)OCO3)C1=O
InChI=1SC28H29N5O5S2c1184373224(18)2925(20(26(32)34)152327(35)33(1213362)28(39)4023)3110830(91131)1619562122(1419)38173721h371415H8131617H212H3b2315
MFCD03212921
ZINC000002390597
ZINC2390597

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Available files

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