Vitas-M small molecule compound

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

Catalog ID
STK768533
SMILES CCN(CCOC(=O)c1ccc(cc1)N/C=C\1/C(=O)NC(=S)N(C1=O)CC)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 C20H26N4O4S MW 418.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O4S/c1-4-23(5-2)11-12-28-19(27)14-7-9-15(10-8-14)21-13-16-17(25)22-20(29)24(6-3)18(16)26/h7-10,13,21H,4-6,11-12H2,1-3H3,(H,22,25,29)/b16-13-
InChIKey
QCTIAVXAVGGGFV-SSZFMOIBSA-N
Synonyms

(E)2(diethylamino)ethyl4(((1ethyl46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)benzoate
2(diethylamino)ethyl4(((Z)(1ethyl46dioxo2sulfanylidene13diazinan5ylidene)methyl)amino)benzoate
2(diethylamino)ethyl4(((Z)(1ethyl46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)benzoate
2DIETHYLAMINOETHYL4(((Z)(1ETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOATE
CCN(CCOC(=O)c1ccc(cc1)NC=C1C(=O)NC(=S)N(C1=O)CC)CC
CCN1C(=O)C(=CNC2=CC=C(C=C2)C(=O)OCCN(CC)CC)C(=O)NC1=S
InChI=1SC20H26N4O4Sc1423(52)11122819(27)147915(10814)21131617(25)2220(29)24(63)18(16)26h7101321H461112H213H3(H222529)b1613
MFCD03308365
ZINC000100116780
ZINC100116780

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Available files

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