Vitas-M small molecule compound

2-(diethylamino)ethyl 4-{[(4,6-dioxo-1,3-diphenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate

Catalog ID
STL329631
SMILES CCN(CCOC(=O)c1ccc(cc1)N/C=C/1\C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1)CC

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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 C30H30N4O4S MW 542.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O4S/c1-3-32(4-2)19-20-38-29(37)22-15-17-23(18-16-22)31-21-26-27(35)33(24-11-7-5-8-12-24)30(39)34(28(26)36)25-13-9-6-10-14-25/h5-18,21,31H,3-4,19-20H2,1-2H3
InChIKey
JNQILYIPZMHQAX-UHFFFAOYSA-N
Synonyms

2(diethylamino)ethyl4(((46dioxo13diphenyl2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)benzoate
2(diethylamino)ethyl4((46dioxo13diphenyl2sulfanylidene13diazinan5ylidene)methylamino)benzoate
2DIETHYLAMINOETHYL4((46DIOXO13DIPHENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYLAMINO)BENZOATE
CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
CCN(CCOC(=O)c1ccc(cc1)NC=C1C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1)CC
InChI=1SC30H30N4O4Sc1332(42)19203829(37)22151723(181622)31212627(35)33(24117581224)30(39)34(28(26)36)251396101425h5182131H341920H212H3
MFCD02985951
ZINC000097951045
ZINC97951045

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Available files

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