Vitas-M small molecule compound
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-methyl-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
STK823664
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 C30H31N5O5S2 MW 605.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N5O5S2/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/h4-7,13-15,21H,2-3,8-12,16-18H2,1H3/b25-14-InChIKey
NPAULUJYPVSVQS-QFEZKATASA-NSynonyms
(5Z)5((2(4(13benzodioxol5ylmethyl)piperazin1yl)7methyl4oxopyrido(12a)pyrimidin3yl)methylidene)3(oxolan2ylmethyl)2sulfanylidene13thiazolidin4one
2(4(13benzodioxol5ylmethyl)piperazin1yl)7methyl3((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4CCCO4)N5CCN(CC5)CC6=CC7=C(C=C6)OCO7)C=C1
Cc1ccc2n(c1)c(=O)c(c(n2)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C=C1SC(=S)N(C1=O)CC1CCCO1
InChI=1SC30H31N5O5S2c11947263127(3310832(91133)1620562324(1320)40183923)22(28(36)34(26)1519)142529(37)35(30(41)4225)172132123821h47131521H238121618H21H3b2514
MFCD03212945
ZINC000097947176
ZINC000097947177
Check stock
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