Vitas-M small molecule compound
(5Z)-1-(3-chloro-2-methylphenyl)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189455
SMILES O=C1NC(=S)N(C(=O)/C/1=C\c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])c1cccc(c1C)Cl
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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 C22H14ClN3O5S MW 467.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14ClN3O5S/c1-12-17(23)3-2-4-18(12)25-21(28)16(20(27)24-22(25)32)11-15-9-10-19(31-15)13-5-7-14(8-6-13)26(29)30/h2-11H,1H3,(H,24,27,32)/b16-11-InChIKey
SSUKZCDRWXQDAF-WJDWOHSUSA-NSynonyms
(5Z)1(3CHLORO2METHYLPHENYL)5((5(4NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1(3CHLORO2METHYLPHENYL)5((5(4NITROPHENYL)FURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=C(C=CC=C1Cl)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)NC2=S
InChI=1SC22H14ClN3O5Sc11217(23)32418(12)2521(28)16(20(27)2422(25)32)111591019(3115)135714(8613)26(29)30h211H1H3(H242732)b1611
MFCD03994570
O=C1NC(=S)N(C(=O)C1=Cc1ccc(o1)c1ccc(cc1)(N+)(=O)(O))c1cccc(c1C)Cl
ZINC000006767215
ZINC06767215
ZINC6767215
Check stock
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