Vitas-M small molecule compound
1,3-dimethyl-5-{[1-(4-nitrobenzyl)-1H-indol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187948
SMILES S=C1N(C)C(=O)C(=Cc2cn(c3c2cccc3)Cc2ccc(cc2)[N+](=O)[O-])C(=O)N1C
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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 C22H18N4O4S MW 434.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O4S/c1-23-20(27)18(21(28)24(2)22(23)31)11-15-13-25(19-6-4-3-5-17(15)19)12-14-7-9-16(10-8-14)26(29)30/h3-11,13H,12H2,1-2H3InChIKey
KZYUXHBVACJYTH-UHFFFAOYSA-NSynonyms
426238-34-813DIMETHYL5((1((4NITROPHENYL)METHYL)INDOL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
13DIMETHYL5((1(4NITROBENZYL)1HINDOL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
426238348
CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)(N+)(=O)(O))C(=O)N(C1=S)C
InChI=1SC22H18N4O4Sc12320(27)18(21(28)24(2)22(23)31)11151325(19643517(15)19)12147916(10814)26(29)30h31113H12H212H3
MFCD02608808
S=C1N(C)C(=O)C(=Cc2cn(c3c2cccc3)Cc2ccc(cc2)(N+)(=O)(O))C(=O)N1C
ZINC000001186516
ZINC01186516
ZINC1186516
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