Vitas-M small molecule compound
7-methyl-2-(4-methylpiperazin-1-yl)-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
STK704777
SMILES C=CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)C)/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 C21H23N5O2S2 MW 441.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O2S2/c1-4-7-25-20(28)16(30-21(25)29)12-15-18(24-10-8-23(3)9-11-24)22-17-6-5-14(2)13-26(17)19(15)27/h4-6,12-13H,1,7-11H2,2-3H3/b16-12-InChIKey
RNAKHKDGHLTHOA-VBKFSLOCSA-NSynonyms
(5Z)5((7METHYL2(4METHYLPIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
7methyl2(4methylpiperazin1yl)3((Z)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
C=CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)C)C1=O
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC=C)N4CCN(CC4)C)C=C1
InChI=1SC21H23N5O2S2c1472520(28)16(3021(25)29)121518(2410823(3)91124)22176514(2)1326(17)19(15)27h461213H1711H223H3b1612
MFCD04446627
ZINC000016734532
ZINC16734532
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