Vitas-M small molecule compound
4-(5-{(Z)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK604999
SMILES OC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/C(=O)N=C(N(C1=O)c1cccc(c1Cl)Cl)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 C22H12Cl2N2O5S MW 487.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H12Cl2N2O5S/c23-15-2-1-3-16(18(15)24)26-20(28)14(19(27)25-22(26)32)10-13-8-9-17(31-13)11-4-6-12(7-5-11)21(29)30/h1-10H,(H,29,30)(H,25,27,32)/b14-10-InChIKey
DUDXZYLGXTZTGT-UVTDQMKNSA-NSynonyms
4(5((Z)(1(23dichlorophenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)furan2yl)benzoicacid
4(5((Z)(1(23DICHLOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
C1=CC(=C(C(=C1)Cl)Cl)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)C(=O)NC2=S
InChI=1SC22H12Cl2N2O5Sc231521316(18(15)24)2620(28)14(19(27)2522(26)32)10138917(3113)114612(7511)21(29)30h110H(H2930)(H252732)b1410
MFCD08731571
OC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)N=C(N(C1=O)c1cccc(c1Cl)Cl)S
ZINC000017056236
ZINC17056236
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