Vitas-M small molecule compound

methyl 4-(5-{(E)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoate

Catalog ID
STK188232
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2ccc(o2)c2ccc(cc2)C(=O)OC)/C1=O

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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 C20H16N2O5S MW 396.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O5S/c1-3-10-22-18(24)15(17(23)21-20(22)28)11-14-8-9-16(27-14)12-4-6-13(7-5-12)19(25)26-2/h3-9,11H,1,10H2,2H3,(H,21,23,28)/b15-11+
InChIKey
NMJUIMIBTRQWBA-RVDMUPIBSA-N
Synonyms

C=CCN1C(=S)NC(=O)C(=Cc2ccc(o2)c2ccc(cc2)C(=O)OC)C1=O
COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)CC=C
InChI=1SC20H16N2O5Sc13102218(24)15(17(23)2120(22)28)11148916(2714)124613(7512)19(25)262h3911H110H22H3(H212328)b1511+
METHYL4(5((46DIOXO1PROP2ENYL2THIOXO13DIHYDROPYRIMIDIN5YLIDENE)METHYL)2FURYL)BENZOATE
METHYL4(5((E)(46DIOXO1(PROP2EN1YL)2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOATE
METHYL4(5((E)(46DIOXO1PROP2ENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOATE
MFCD03239059
ZINC000004544547
ZINC04544547
ZINC4544547

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Available files

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