Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Catalog ID
STK606561
SMILES N#C/C(=C\c1c(nc2n(c1=O)cccc2C)N1CCN(CC1)Cc1ccccc1)/c1nc2c(s1)cccc2
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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 C30H26N6OS MW 518.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N6OS/c1-21-8-7-13-36-27(21)33-28(35-16-14-34(15-17-35)20-22-9-3-2-4-10-22)24(30(36)37)18-23(19-31)29-32-25-11-5-6-12-26(25)38-29/h2-13,18H,14-17,20H2,1H3/b23-18+InChIKey
LZHMRVQOMSGBSL-PTGBLXJZSA-NSynonyms
799771-28-1(2E)2(13benzothiazol2yl)3(2(4benzylpiperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(2(4BENZYLPIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
(E)2(benzo(d)thiazol2yl)3(2(4benzylpiperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)acrylonitrile
799771281
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C3=NC4=CC=CC=C4S3)N5CCN(CC5)CC6=CC=CC=C6
InChI=1SC30H26N6OSc12187133627(21)3328(35161434(151735)202293241022)24(30(36)37)1823(1931)29322511561226(25)3829h21318H141720H21H3b2318+
MFCD03671783
N#CC(=Cc1c(nc2n(c1=O)cccc2C)N1CCN(CC1)Cc1ccccc1)c1nc2c(s1)cccc2
ZINC000020170707
ZINC20170707
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