Vitas-M small molecule compound

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-{(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK823673
SMILES Cc1ccc2n(c1)c(=O)c(c(n2)N1CCN(CC1)Cc1ccc2c(c1)OCO2)/C=C/1\SC(=S)N(C1=O)Cc1ccco1

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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 C30H27N5O5S2 MW 601.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N5O5S2/c1-19-4-7-26-31-27(33-10-8-32(9-11-33)16-20-5-6-23-24(13-20)40-18-39-23)22(28(36)34(26)15-19)14-25-29(37)35(30(41)42-25)17-21-3-2-12-38-21/h2-7,12-15H,8-11,16-18H2,1H3/b25-14-
InChIKey
ZYJCZFHMYOSEMO-QFEZKATASA-N
Synonyms

(5Z)5((2(4(13benzodioxol5ylmethyl)piperazin1yl)7methyl4oxopyrido(12a)pyrimidin3yl)methylidene)3(furan2ylmethyl)2sulfanylidene13thiazolidin4one
2(4(13benzodioxol5ylmethyl)piperazin1yl)3((Z)(3(furan2ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl4Hpyrido(12a)pyrimidin4one
5((2(4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)7METHYL4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)3(2FURYLMETHYL)2THIOXO13THIAZOLIDIN4ONE
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4=CC=CO4)N5CCN(CC5)CC6=CC7=C(C=C6)OCO7)C=C1
InChI=1SC30H27N5O5S2c11947263127(3310832(91133)1620562324(1320)40183923)22(28(36)34(26)1519)142529(37)35(30(41)4225)172132123821h271215H8111618H21H3b2514
MFCD03212946
ZINC000097959811
ZINC97959811

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Available files

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