Vitas-M small molecule compound
(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-[4-(propan-2-yl)phenyl]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK586095
SMILES CC(c1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)/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 C30H29N3O2S MW 495.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O2S/c1-20(2)23-11-13-25(14-12-23)33-29(35)26(28(34)31-30(33)36)18-22-10-15-27-24(17-22)9-6-16-32(27)19-21-7-4-3-5-8-21/h3-5,7-8,10-15,17-18,20H,6,9,16,19H2,1-2H3,(H,31,34,36)/b26-18+InChIKey
RBUJSBLSVOFQJO-NLRVBDNBSA-NSynonyms
585558-01-6(5E)5((1benzyl1234tetrahydroquinolin6yl)methylidene)1(4(propan2yl)phenyl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((1BENZYL34DIHYDRO2HQUINOLIN6YL)METHYLIDENE)1(4PROPAN2YLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
585558016
CC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)N(CCC4)CC5=CC=CC=C5)C(=O)NC2=S
CC(c1ccc(cc1)N1C(=NC(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C1=O)S)C
InChI=1SC30H29N3O2Sc120(2)23111325(141223)3329(35)26(28(34)3130(33)36)182210152724(1722)961632(27)19217435821h35781015171820H691619H212H3(H313436)b2618+
MFCD07198786
ZINC000009010028
ZINC9010028
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