Vitas-M small molecule compound
3-[(Z)-(3-heptyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(prop-2-en-1-ylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK705188
SMILES CCCCCCCN1C(=S)S/C(=C\c2c(NCC=C)nc3n(c2=O)cc(cc3)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 C23H28N4O2S2 MW 456.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O2S2/c1-4-6-7-8-9-13-26-22(29)18(31-23(26)30)14-17-20(24-12-5-2)25-19-11-10-16(3)15-27(19)21(17)28/h5,10-11,14-15,24H,2,4,6-9,12-13H2,1,3H3/b18-14-InChIKey
LLQGBUWRJJXEEG-JXAWBTAJSA-NSynonyms
(5Z)3HEPTYL5((7METHYL4OXO2(PROP2ENYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3heptyl4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl2(prop2en1ylamino)4Hpyrido(12a)pyrimidin4one
CCCCCCCN1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)NCC=C)SC1=S
CCCCCCCN1C(=S)SC(=Cc2c(NCC=C)nc3n(c2=O)cc(cc3)C)C1=O
InChI=1SC23H28N4O2S2c146789132622(29)18(3123(26)30)141720(241252)2519111016(3)1527(19)21(17)28h51011141524H24691213H213H3b1814
MFCD04446743
ZINC000095927181
ZINC95927181
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