Vitas-M small molecule compound
(5Z)-1-(4-chlorophenyl)-5-[(1,2-dimethyl-1H-indol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187986
SMILES Clc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2c(C)n(c3c2cccc3)C)/C1=O
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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 C21H16ClN3O2S MW 409.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN3O2S/c1-12-16(15-5-3-4-6-18(15)24(12)2)11-17-19(26)23-21(28)25(20(17)27)14-9-7-13(22)8-10-14/h3-11H,1-2H3,(H,23,26,28)/b17-11-InChIKey
YUBPPZIHWNLLIA-BOPFTXTBSA-NSynonyms
(5Z)1(4CHLOROPHENYL)5((12DIMETHYL1HINDOL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)1(4CHLOROPHENYL)5((12DIMETHYLINDOL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=C(C2=CC=CC=C2N1C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2c(C)n(c3c2cccc3)C)C1=O
InChI=1SC21H16ClN3O2Sc11216(15534618(15)24(12)2)111719(26)2321(28)25(20(17)27)149713(22)81014h311H12H3(H232628)b1711
MFCD02624374
ZINC000004711416
ZINC04711416
ZINC4711416
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