Vitas-M small molecule compound
3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-ethoxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STL336617
SMILES CCOCCCNc1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C(CC)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 C21H26N4O3S2 MW 446.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O3S2/c1-4-14(3)25-20(27)16(30-21(25)29)13-15-18(22-10-8-12-28-5-2)23-17-9-6-7-11-24(17)19(15)26/h6-7,9,11,13-14,22H,4-5,8,10,12H2,1-3H3/b16-13-InChIKey
LMLJLNAYBHBUHF-SSZFMOIBSA-NSynonyms
617688-04-7(5Z)3BUTAN2YL5((2(3ETHOXYPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(secbutyl)5((2((3ethoxypropyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((3ethoxypropyl)amino)4Hpyrido(12a)pyrimidin4one
617688047
CCC(C)N1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)NCCCOCC)SC1=S
CCOCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)C(CC)C
InChI=1SC21H26N4O3S2c1414(3)2520(27)16(3021(25)29)131518(22108122852)23179671124(17)19(15)26h67911131422H4581012H213H3b1613
MFCD03667614
ZINC000009427750
ZINC000013647105
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