Vitas-M small molecule compound
(5Z)-1-(prop-2-en-1-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
STL148874
SMILES C=CCN1C(=NC(=O)/C(=C/c2cc3CCCN4c3c(c2)CCC4)/C1=O)S
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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 C20H21N3O2S MW 367.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O2S/c1-2-7-23-19(25)16(18(24)21-20(23)26)12-13-10-14-5-3-8-22-9-4-6-15(11-13)17(14)22/h2,10-12H,1,3-9H2,(H,21,24,26)/b16-12-InChIKey
UAAYLWLOUNUESO-VBKFSLOCSA-NSynonyms
371220-22-3(5Z)1(prop2en1yl)2sulfanyl5(2367tetrahydro1H5Hpyrido(321ij)quinolin9ylmethylidene)pyrimidine46(1H5H)dione
371220223
C=CCN1C(=NC(=O)C(=Cc2cc3CCCN4c3c(c2)CCC4)C1=O)S
InChI=1SC20H21N3O2Sc1272319(25)16(18(24)2120(23)26)121310145382294615(1113)17(14)22h21012H139H2(H212426)b1612
MFCD03807005
ZINC000006780776
ZINC06780776
ZINC6780776
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