Vitas-M small molecule compound
(5E)-5-(4-hydroxy-3-nitrobenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK048440
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])O)/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 C14H11N3O5S MW 333.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11N3O5S/c1-2-5-16-13(20)9(12(19)15-14(16)23)6-8-3-4-11(18)10(7-8)17(21)22/h2-4,6-7,18H,1,5H2,(H,15,19,23)/b9-6+InChIKey
AXKCGRXHQUCETH-RMKNXTFCSA-NSynonyms
(5E)5((4HYDROXY3NITROPHENYL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(4HYDROXY3NITROBENZYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCN1C(=O)C(=CC2=CC(=C(C=C2)O)(N+)(=O)(O))C(=O)NC1=S
C=CCN1C(=S)NC(=O)C(=Cc2ccc(c(c2)(N+)(=O)(O))O)C1=O
InChI=1SC14H11N3O5Sc1251613(20)9(12(19)1514(16)23)683411(18)10(78)17(21)22h246718H15H2(H151923)b96+
MFCD02195219
STK048440
ZINC000012379069
ZINC12379069
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