Vitas-M small molecule compound
2-(butylamino)-9-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK811698
SMILES CCCCNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc(cc1)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 C25H26N4O2S2 MW 478.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O2S2/c1-4-5-12-26-21-19(23(30)28-13-6-7-17(3)22(28)27-21)14-20-24(31)29(25(32)33-20)15-18-10-8-16(2)9-11-18/h6-11,13-14,26H,4-5,12,15H2,1-3H3/b20-14-InChIKey
NRIDKMDGMVEXCB-ZHZULCJRSA-NSynonyms
(5Z)5((2(BUTYLAMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3((4METHYLPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2(butylamino)9methyl3((Z)(3(4methylbenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CCCCNC1=C(C(=O)N2C=CC=C(C2=N1)C)C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)C
CCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccc(cc1)C
InChI=1SC25H26N4O2S2c14512262119(23(30)28136717(3)22(28)2721)142024(31)29(25(32)3320)151810816(2)91118h611131426H451215H213H3b2014
MFCD03212984
ZINC000002390607
ZINC2390607
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