Vitas-M small molecule compound

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

Catalog ID
STK811581
SMILES CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)Cc2ccc3c(c2)OCO3)/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 C29H31N5O4S2 MW 577.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O4S2/c1-4-19(3)34-28(36)24(40-29(34)39)15-21-26(30-25-18(2)6-5-9-33(25)27(21)35)32-12-10-31(11-13-32)16-20-7-8-22-23(14-20)38-17-37-22/h5-9,14-15,19H,4,10-13,16-17H2,1-3H3/b24-15-
InChIKey
AIXCMDPHFQKVIP-IWIPYMOSSA-N
Synonyms

(5Z)5((2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3BUTAN2YL2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4(13benzodioxol5ylmethyl)piperazin1yl)3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4Hpyrido(12a)pyrimidin4one
CCC(C)N1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)SC1=S
CCC(N1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)Cc2ccc3c(c2)OCO3)C1=O)C
InChI=1SC29H31N5O4S2c1419(3)3428(36)24(4029(34)39)152126(302518(2)65933(25)27(21)35)32121031(111332)1620782223(1420)38173722h59141519H410131617H213H3b2415
MFCD03212928
ZINC000100763055
ZINC000100763058

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.