Vitas-M small molecule compound

(5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK191624
SMILES C=CCN1C(=S)NC(=O)/C(=C/c2cc(OCC)c(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 C16H15N3O6S MW 377.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O6S/c1-3-5-18-15(22)10(14(21)17-16(18)26)6-9-7-11(19(23)24)13(20)12(8-9)25-4-2/h3,6-8,20H,1,4-5H2,2H3,(H,17,21,26)/b10-6-
InChIKey
YZTZINYAJIAFNH-POHAHGRESA-N
Synonyms

(5Z)5((3ETHOXY4HYDROXY5NITROPHENYL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(3ETHOXY4HYDROXY5NITROBENZYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCN1C(=S)NC(=O)C(=Cc2cc(OCC)c(c(c2)(N+)(=O)(O))O)C1=O
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C=C2C(=O)NC(=S)N(C2=O)CC=C
InChI=1SC16H15N3O6Sc1351815(22)10(14(21)1716(18)26)69711(19(23)24)13(20)12(89)2542h36820H145H22H3(H172126)b106
MFCD02212673
ZINC000002903863
ZINC2903863

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Available files

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