Vitas-M small molecule compound

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

Catalog ID
STK816147
SMILES S=C1S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)Cc2ccc3c(c2)OCO3)/C(=O)N1CC1CCCO1

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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 C29H29N5O5S2 MW 591.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O5S2/c35-27-21(15-24-28(36)34(29(40)41-24)17-20-4-3-13-37-20)26(30-25-5-1-2-8-33(25)27)32-11-9-31(10-12-32)16-19-6-7-22-23(14-19)39-18-38-22/h1-2,5-8,14-15,20H,3-4,9-13,16-18H2/b24-15-
InChIKey
GQSIOJMGQLMUCL-IWIPYMOSSA-N
Synonyms

(5Z)5((2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4(13benzodioxol5ylmethyl)piperazin1yl)3((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
C1CC(OC1)CN2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)N5CCN(CC5)CC6=CC7=C(C=C6)OCO7)SC2=S
InChI=1SC29H29N5O5S2c352721(152428(36)34(29(40)4124)172043133720)26(3025512833(25)27)3211931(101232)1619672223(1419)39183822h1258141520H349131618H2b2415
MFCD03212907
ZINC000097946645
ZINC000097946646

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Available files

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