Vitas-M small molecule compound
4-chloro-3-(5-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK614196
SMILES C=CCN1C(=NC(=O)/C(=C/c2ccc(o2)c2cc(ccc2Cl)C(=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 C19H13ClN2O5S MW 416.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13ClN2O5S/c1-2-7-22-17(24)13(16(23)21-19(22)28)9-11-4-6-15(27-11)12-8-10(18(25)26)3-5-14(12)20/h2-6,8-9H,1,7H2,(H,25,26)(H,21,23,28)/b13-9-InChIKey
WQHUBHUSCRDVGU-LCYFTJDESA-NSynonyms
4chloro3(5((Z)(46dioxo1(prop2en1yl)2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)furan2yl)benzoicacid
4CHLORO3(5((Z)(46DIOXO1PROP2ENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
C=CCN1C(=NC(=O)C(=Cc2ccc(o2)c2cc(ccc2Cl)C(=O)O)C1=O)S
C=CCN1C(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)C(=O)O)Cl)C(=O)NC1=S
InChI=1SC19H13ClN2O5Sc1272217(24)13(16(23)2119(22)28)9114615(2711)12810(18(25)26)3514(12)20h2689H17H2(H2526)(H212328)b139
MFCD08735169
ZINC000017058971
ZINC17058971
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