Vitas-M small molecule compound

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

Catalog ID
STK816148
SMILES CC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)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 C27H27N5O4S2 MW 549.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O4S2/c1-17(2)32-26(34)22(38-27(32)37)14-19-24(28-23-5-3-4-8-31(23)25(19)33)30-11-9-29(10-12-30)15-18-6-7-20-21(13-18)36-16-35-20/h3-8,13-14,17H,9-12,15-16H2,1-2H3/b22-14-
InChIKey
FSAIKLVIMLJBGD-HMAPJEAMSA-N
Synonyms

(5Z)5((2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PROPAN2YL2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4(13benzodioxol5ylmethyl)piperazin1yl)3((Z)(4oxo3(propan2yl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC(C)N1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)SC1=S
CC(N1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)Cc2ccc3c(c2)OCO3)C1=O)C
InChI=1SC27H27N5O4S2c117(2)3226(34)22(3827(32)37)141924(2823534831(23)25(19)33)3011929(101230)1518672021(1318)36163520h38131417H9121516H212H3b2214
MFCD03212898
ZINC000097946647
ZINC97946647

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Available files

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