Vitas-M small molecule compound
2-chloro-5-{5-[(Z)-(4,6-dioxo-1-phenyl-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STK562795
SMILES O=C1N=C(S)N(C(=O)/C/1=C\c1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)c1ccccc1
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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 C22H13ClN2O5S MW 452.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13ClN2O5S/c23-17-8-6-12(10-15(17)21(28)29)18-9-7-14(30-18)11-16-19(26)24-22(31)25(20(16)27)13-4-2-1-3-5-13/h1-11H,(H,28,29)(H,24,26,31)/b16-11-InChIKey
GVYUQUMLKUTSBQ-WJDWOHSUSA-NSynonyms
2chloro5(5((Z)(46dioxo1phenyl2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)furan2yl)benzoicacid
2CHLORO5(5((Z)(46DIOXO1PHENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)C(=O)NC2=S
InChI=1SC22H13ClN2O5Sc23178612(1015(17)21(28)29)189714(3018)111619(26)2422(31)25(20(16)27)134213513h111H(H2829)(H242631)b1611
MFCD03806851
O=C1N=C(S)N(C(=O)C1=Cc1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)c1ccccc1
ZINC000009041820
ZINC9041820
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