Vitas-M small molecule compound
(5Z)-1-(2-methylphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL328154
SMILES O=C1NC(=O)N(C(=O)/C/1=C\c1ccc(s1)[N+](=O)[O-])c1ccccc1C
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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 C16H11N3O5S MW 357.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O5S/c1-9-4-2-3-5-12(9)18-15(21)11(14(20)17-16(18)22)8-10-6-7-13(25-10)19(23)24/h2-8H,1H3,(H,17,20,22)/b11-8-InChIKey
BLJDWDQURUQETG-FLIBITNWSA-NSynonyms
(5Z)1(2METHYLPHENYL)5((5NITROTHIOPHEN2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)1(2methylphenyl)5((5nitrothiophen2yl)methylidene)pyrimidine246(1H3H5H)trione
(Z)5((5nitrothiophen2yl)methylene)1(otolyl)pyrimidine246(1H3H5H)trione
CC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(S3)(N+)(=O)(O))C(=O)NC2=O
InChI=1SC16H11N3O5Sc19423512(9)1815(21)11(14(20)1716(18)22)8106713(2510)19(23)24h28H1H3(H172022)b118
MFCD01959564
O=C1NC(=O)N(C(=O)C1=Cc1ccc(s1)(N+)(=O)(O))c1ccccc1C
ZINC000008971996
ZINC08971996
ZINC8971996
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