Vitas-M small molecule compound
(6Z)-5-imino-6-[3-methoxy-4-(1-phenylethoxy)benzylidene]-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL233956
SMILES COc1cc(ccc1OC(c1ccccc1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
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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 C27H27N5O4S MW 517.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O4S/c1-17(19-8-4-3-5-9-19)36-21-11-10-18(15-22(21)35-2)14-20-25(28)32-27(29-26(20)34)37-23(30-32)16-24(33)31-12-6-7-13-31/h3-5,8-11,14-15,17,28H,6-7,12-13,16H2,1-2H3/b20-14-,28-25-InChIKey
XXRKKCFCSOEUOG-ARIIHFJZSA-NSynonyms
862198-06-9(6Z)5imino6(3methoxy4(1phenylethoxy)benzylidene)2(2oxo2(pyrrolidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)5imino6(3methoxy4(1phenylethoxy)benzylidene)2(2oxo2(pyrrolidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
862198069
COc1cc(ccc1OC(c1ccccc1)C)C=C1C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
MFCD05696891
ZINC000009291910
ZINC000009291911
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