Vitas-M small molecule compound
(6Z)-6-[4-(benzyloxy)-3-ethoxybenzylidene]-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
STK555083
SMILES CCOc1cc(ccc1OCc1ccccc1)/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/c1-2-35-22-15-19(10-11-21(22)36-17-18-8-4-3-5-9-18)14-20-25(28)32-27(29-26(20)34)37-23(30-32)16-24(33)31-12-6-7-13-31/h3-5,8-11,14-15,28H,2,6-7,12-13,16-17H2,1H3/b20-14-,28-25-InChIKey
QVNOEKUDRRLLLW-ARIIHFJZSA-NSynonyms
840499-21-0(6Z)6(4(benzyloxy)3ethoxybenzylidene)5imino2(2oxo2(pyrrolidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(benzyloxy)3ethoxybenzylidene)5imino2(2oxo2(pyrrolidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
840499210
CCOc1cc(ccc1OCc1ccccc1)C=C1C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
MFCD04008803
ZINC000013751888
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