Vitas-M small molecule compound
2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK823715
SMILES COc1ccc(cc1)N1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CC1CCCO1
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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 C29H31N5O4S2 MW 577.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O4S2/c1-19-5-3-11-33-25(19)30-26(32-14-12-31(13-15-32)20-7-9-21(37-2)10-8-20)23(27(33)35)17-24-28(36)34(29(39)40-24)18-22-6-4-16-38-22/h3,5,7-11,17,22H,4,6,12-16,18H2,1-2H3/b24-17-InChIKey
MKVSNMZLLLNHIG-ULJHMMPZSA-NSynonyms
(5Z)5((2(4(4METHOXYPHENYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2(4(4methoxyphenyl)piperazin1yl)9methyl3((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4CCCO4)N5CCN(CC5)C6=CC=C(C=C6)OC
InChI=1SC29H31N5O4S2c11953113325(19)3026(32141231(131532)207921(372)10820)23(27(33)35)172428(36)34(29(39)4024)182264163822h357111722H46121618H212H3b2417
MFCD03464221
ZINC000100762429
ZINC000100762436
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