Vitas-M small molecule compound

4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl benzoate

Catalog ID
STK151658
SMILES S=C1NC(=O)C(=Cc2ccc(cc2)OC(=O)c2ccccc2)C(=O)N1

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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 C18H12N2O4S MW 352.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N2O4S/c21-15-14(16(22)20-18(25)19-15)10-11-6-8-13(9-7-11)24-17(23)12-4-2-1-3-5-12/h1-10H,(H2,19,20,21,22,25)
InChIKey
XOCKMLGOIMUQLE-UHFFFAOYSA-N
Synonyms

(4((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENYL)BENZOATE
4((46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENYLBENZOATE
BENZOICACID4(46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5YLIDENEMETHYL)PHENYL
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C3C(=O)NC(=S)NC3=O
InChI=1SC18H12N2O4Sc211514(16(22)2018(25)1915)10116813(9711)2417(23)124213512h110H(H21920212225)
MFCD00377036
ZINC000000827854
ZINC00827854
ZINC827854

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Available files

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