Vitas-M small molecule compound
(5Z)-1-(butan-2-yl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione
Catalog ID
STK846534
SMILES CCC(N1C(=NC(=O)/C(=C/c2cc3CCCN4c3c(c2)CCC4)/C1=O)S)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 C21H25N3O2S MW 383.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O2S/c1-3-13(2)24-20(26)17(19(25)22-21(24)27)12-14-10-15-6-4-8-23-9-5-7-16(11-14)18(15)23/h10-13H,3-9H2,1-2H3,(H,22,25,27)/b17-12-InChIKey
DKASVHITOBKZRI-ATVHPVEESA-NSynonyms
1164510-91-1(5Z)1(butan2yl)2sulfanyl5(2367tetrahydro1H5Hpyrido(321ij)quinolin9ylmethylidene)pyrimidine46(1H5H)dione
1164510911
CCC(C)N1C(=O)C(=CC2=CC3=C4C(=C2)CCCN4CCC3)C(=O)NC1=S
CCC(N1C(=NC(=O)C(=Cc2cc3CCCN4c3c(c2)CCC4)C1=O)S)C
InChI=1SC21H25N3O2Sc1313(2)2420(26)17(19(25)2221(24)27)121410156482395716(1114)18(15)23h1013H39H212H3(H222527)b1712
MFCD03795870
ZINC000006830030
ZINC000006830083
Check stock
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