Vitas-M small molecule compound
3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-methoxybenzoate
Catalog ID
STK070035
SMILES COc1ccc(cc1)C(=O)Oc1cccc(c1)C=C1C(=O)NC(=S)NC1=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 C19H14N2O5S MW 382.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N2O5S/c1-25-13-7-5-12(6-8-13)18(24)26-14-4-2-3-11(9-14)10-15-16(22)20-19(27)21-17(15)23/h2-10H,1H3,(H2,20,21,22,23,27)InChIKey
UUKUVUVTZSPOPT-UHFFFAOYSA-NSynonyms
402591-48-4(3((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENYL)4METHOXYBENZOATE
3((46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENYL4METHOXYBENZOATE
402591484
COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C3C(=O)NC(=S)NC3=O
COc1ccc(cc1)C(=O)Oc1cccc(c1)C=C1C(=O)NC(=S)NC1=O
InChI=1SC19H14N2O5Sc125137512(6813)18(24)261442311(914)101516(22)2019(27)2117(15)23h210H1H3(H22021222327)
MFCD02608802
STK070035
ZINC000002797180
ZINC02797180
ZINC2797180
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