Vitas-M small molecule compound
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK811543
SMILES C=CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)Cc2ccc3c(c2)OCO3)/C1=O
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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 C28H27N5O4S2 MW 561.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O4S2/c1-3-8-33-27(35)23(39-28(33)38)15-20-25(29-24-18(2)5-4-9-32(24)26(20)34)31-12-10-30(11-13-31)16-19-6-7-21-22(14-19)37-17-36-21/h3-7,9,14-15H,1,8,10-13,16-17H2,2H3/b23-15-InChIKey
AORIHDHOSHPHNF-HAHDFKILSA-NSynonyms
(5Z)5((2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4(13benzodioxol5ylmethyl)piperazin1yl)9methyl3((Z)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
C=CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)Cc2ccc3c(c2)OCO3)C1=O
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC=C)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6
InChI=1SC28H27N5O4S2c1383327(35)23(3928(33)38)152025(292418(2)54932(24)26(20)34)31121030(111331)1619672122(1419)37173621h3791415H1810131617H22H3b2315
MFCD03212920
ZINC000002390595
ZINC2390595
Check stock
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