Vitas-M small molecule compound

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

Catalog ID
STK811576
SMILES CCCN1C(=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 C28H29N5O4S2 MW 563.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4S2/c1-3-8-33-27(35)23(39-28(33)38)15-20-25(29-24-18(2)5-4-9-32(24)26(20)34)31-12-10-30(11-13-31)16-19-6-7-21-22(14-19)37-17-36-21/h4-7,9,14-15H,3,8,10-13,16-17H2,1-2H3/b23-15-
InChIKey
YMSMALFMQBLILD-HAHDFKILSA-N
Synonyms

(5Z)5((2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PROPYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4(13benzodioxol5ylmethyl)piperazin1yl)9methyl3((Z)(4oxo3propyl2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)SC1=S
CCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)Cc2ccc3c(c2)OCO3)C1=O
InChI=1SC28H29N5O4S2c1383327(35)23(3928(33)38)152025(292418(2)54932(24)26(20)34)31121030(111331)1619672122(1419)37173621h4791415H3810131617H212H3b2315
MFCD03212912
ZINC000100858255
ZINC100858255

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Available files

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