Vitas-M small molecule compound
(6Z)-6-{4-[(2,6-dichlorobenzyl)oxy]benzylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL233512
SMILES O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCc3c(Cl)cccc3Cl)/C2=N)s1
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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 C25H21Cl2N5O3S MW 542.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Cl2N5O3S/c26-19-4-3-5-20(27)18(19)14-35-16-8-6-15(7-9-16)12-17-23(28)32-25(29-24(17)34)36-21(30-32)13-22(33)31-10-1-2-11-31/h3-9,12,28H,1-2,10-11,13-14H2/b17-12-,28-23-InChIKey
OXQQYMKBHXJUHY-JVPONNRTSA-NSynonyms
845635-38-3(6Z)6(4((26dichlorobenzyl)oxy)benzylidene)5imino2(2oxo2(pyrrolidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4((26dichlorobenzyl)oxy)benzylidene)5imino2(2oxo2(pyrrolidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
845635383
MFCD04166427
O=C(N1CCCC1)Cc1nn2c(=NC(=O)C(=Cc3ccc(cc3)OCc3c(Cl)cccc3Cl)C2=N)s1
ZINC000101111622
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