Vitas-M small molecule compound
3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK812337
SMILES CCCCN1C(=S)S/C(=C\c2c(Oc3ccccc3)nc3n(c2=O)cccc3C)/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 C23H21N3O3S2 MW 451.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O3S2/c1-3-4-12-26-22(28)18(31-23(26)30)14-17-20(29-16-10-6-5-7-11-16)24-19-15(2)9-8-13-25(19)21(17)27/h5-11,13-14H,3-4,12H2,1-2H3/b18-14-InChIKey
NNZJDULCSCGHOG-JXAWBTAJSA-NSynonyms
(5Z)3BUTYL5((9METHYL4OXO2PHENOXYPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3butyl4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2phenoxy4Hpyrido(12a)pyrimidin4one
CCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)OC4=CC=CC=C4)SC1=S
CCCCN1C(=S)SC(=Cc2c(Oc3ccccc3)nc3n(c2=O)cccc3C)C1=O
InChI=1SC23H21N3O3S2c134122622(28)18(3123(26)30)141720(2916106571116)241915(2)981325(19)21(17)27h5111314H3412H212H3b1814
MFCD03721246
ZINC000002510407
ZINC2510407
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