Vitas-M small molecule compound
3-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-methylbenzoate
Catalog ID
STK077947
SMILES S=C1NC(=O)C(=Cc2cccc(c2)OC(=O)c2ccc(cc2)C)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 C19H14N2O4S MW 366.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N2O4S/c1-11-5-7-13(8-6-11)18(24)25-14-4-2-3-12(9-14)10-15-16(22)20-19(26)21-17(15)23/h2-10H,1H3,(H2,20,21,22,23,26)InChIKey
VWLVMNQDLQAWDB-UHFFFAOYSA-NSynonyms
361191-89-1(3((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENYL)4METHYLBENZOATE
3((46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENYL4METHYLBENZOATE
361191891
CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C3C(=O)NC(=S)NC3=O
InChI=1SC19H14N2O4Sc1115713(8611)18(24)251442312(914)101516(22)2019(26)2117(15)23h210H1H3(H22021222326)
MFCD02604675
S=C1NC(=O)C(=Cc2cccc(c2)OC(=O)c2ccc(cc2)C)C(=O)N1
STK077947
ZINC000001176520
ZINC01176520
ZINC1176520
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