Vitas-M small molecule compound
(5Z)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-1-(4-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK566370
SMILES Cc1ccc(cc1)N1C(=NC(=O)/C(=C/NCc2ccc3c(c2)OCO3)/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 C20H17N3O4S MW 395.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O4S/c1-12-2-5-14(6-3-12)23-19(25)15(18(24)22-20(23)28)10-21-9-13-4-7-16-17(8-13)27-11-26-16/h2-8,10,21H,9,11H2,1H3,(H,22,24,28)/b15-10-InChIKey
YSNJJEMLIAIXSX-GDNBJRDFSA-NSynonyms
(5Z)5(((13benzodioxol5ylmethyl)amino)methylidene)1(4methylphenyl)2sulfanylpyrimidine46(1H5H)dione
(5Z)5((13BENZODIOXOL5YLMETHYLAMINO)METHYLIDENE)1(4METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC=C(C=C1)N2C(=O)C(=CNCC3=CC4=C(C=C3)OCO4)C(=O)NC2=S
Cc1ccc(cc1)N1C(=NC(=O)C(=CNCc2ccc3c(c2)OCO3)C1=O)S
InChI=1SC20H17N3O4Sc1122514(6312)2319(25)15(18(24)2220(23)28)1021913471617(813)27112616h281021H911H21H3(H222428)b1510
MFCD04079331
ZINC000005626003
ZINC5626003
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