Vitas-M small molecule compound

1,3-dimethyl-5-{[1-(3-nitrobenzyl)-1H-indol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK188141
SMILES S=C1N(C)C(=O)C(=Cc2cn(c3c2cccc3)Cc2cccc(c2)[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(19-9-4-3-8-17(15)19)12-14-6-5-7-16(10-14)26(29)30/h3-11,13H,12H2,1-2H3
InChIKey
VDHYZURVGMEFIR-UHFFFAOYSA-N
Synonyms

13DIMETHYL5((1((3NITROPHENYL)METHYL)INDOL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
13DIMETHYL5((1(3NITROBENZYL)1HINDOL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)(N+)(=O)(O))C(=O)N(C1=S)C
InChI=1SC22H18N4O4Sc12320(27)18(21(28)24(2)22(23)31)11151325(19943817(15)19)121465716(1014)26(29)30h31113H12H212H3
MFCD02779813
S=C1N(C)C(=O)C(=Cc2cn(c3c2cccc3)Cc2cccc(c2)(N+)(=O)(O))C(=O)N1C
ZINC000001095226
ZINC01095226
ZINC1095226

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Available files

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