Vitas-M small molecule compound

(5Z)-1-(3-ethoxyphenyl)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione

Catalog ID
STK630026
SMILES CCOc1cccc(c1)N1C(=NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/C1=O)S

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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 C23H17N3O6S MW 463.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O6S/c1-2-31-17-5-3-4-16(12-17)25-22(28)19(21(27)24-23(25)33)13-18-10-11-20(32-18)14-6-8-15(9-7-14)26(29)30/h3-13H,2H2,1H3,(H,24,27,33)/b19-13-
InChIKey
PXBRUFKBALWIFS-UYRXBGFRSA-N
Synonyms

(5Z)1(3ETHOXYPHENYL)5((5(4NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1(3ethoxyphenyl)5((5(4nitrophenyl)furan2yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)NC2=S
CCOc1cccc(c1)N1C(=NC(=O)C(=Cc2ccc(o2)c2ccc(cc2)(N+)(=O)(O))C1=O)S
InChI=1SC23H17N3O6Sc12311753416(1217)2522(28)19(21(27)2423(25)33)1318101120(3218)146815(9714)26(29)30h313H2H21H3(H242733)b1913
MFCD09796670
ZINC000013810176
ZINC13810176

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Available files

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