Vitas-M small molecule compound
4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-chlorobenzoate
Catalog ID
STL383366
SMILES O=C(c1ccc(cc1)Cl)Oc1ccc(cc1)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 C18H11ClN2O4S MW 386.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11ClN2O4S/c19-12-5-3-11(4-6-12)17(24)25-13-7-1-10(2-8-13)9-14-15(22)20-18(26)21-16(14)23/h1-9H,(H2,20,21,22,23,26)InChIKey
HTCHVNSWFKKKPS-UHFFFAOYSA-NSynonyms
(4((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENYL)4CHLOROBENZOATE
4((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)phenyl4chlorobenzoate
C1=CC(=CC=C1C=C2C(=O)NC(=S)NC2=O)OC(=O)C3=CC=C(C=C3)Cl
InChI=1SC18H11ClN2O4Sc19125311(4612)17(24)25137110(2813)91415(22)2018(26)2116(14)23h19H(H22021222326)
MFCD00366935
ZINC000001226918
ZINC01226918
ZINC1226918
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