Vitas-M small molecule compound
(5E)-1-(3,5-dimethylphenyl)-5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL368156
SMILES Cc1cc(C)cc(c1)N1C(=S)NC(=O)/C(=C\c2c[nH]c3c2cccc3)/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 C21H17N3O2S MW 375.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O2S/c1-12-7-13(2)9-15(8-12)24-20(26)17(19(25)23-21(24)27)10-14-11-22-18-6-4-3-5-16(14)18/h3-11,22H,1-2H3,(H,23,25,27)/b17-10+InChIKey
MLKBERAUYDKUKR-LICLKQGHSA-NSynonyms
(5E)1(35DIMETHYLPHENYL)5(1HINDOL3YLMETHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(35dimethylphenyl)5(1Hindol3ylmethylidene)2thioxodihydropyrimidine46(1H5H)dione
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CNC4=CC=CC=C43)C(=O)NC2=S)C
Cc1cc(C)cc(c1)N1C(=S)NC(=O)C(=Cc2c(nH)c3c2cccc3)C1=O
InChI=1SC21H17N3O2Sc112713(2)915(812)2420(26)17(19(25)2321(24)27)1014112218643516(14)18h31122H12H3(H232527)b1710+
MFCD03715080
ZINC000001136985
ZINC01136985
ZINC1136985
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