Vitas-M small molecule compound
(6Z)-6-{3-ethoxy-4-[(2-fluorobenzyl)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
STK557665
SMILES CCOc1cc(ccc1OCc1ccccc1F)/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 C27H26FN5O4S MW 535.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FN5O4S/c1-2-36-22-14-17(9-10-21(22)37-16-18-7-3-4-8-20(18)28)13-19-25(29)33-27(30-26(19)35)38-23(31-33)15-24(34)32-11-5-6-12-32/h3-4,7-10,13-14,29H,2,5-6,11-12,15-16H2,1H3/b19-13-,29-25-InChIKey
WOLQPJXQJLABKP-ZFGUBJENSA-NSynonyms
577787-31-6(6Z)6(3ethoxy4((2fluorobenzyl)oxy)benzylidene)5imino2(2oxo2(pyrrolidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(3ethoxy4((2fluorobenzyl)oxy)benzylidene)5imino2(2oxo2(pyrrolidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
577787316
CCOc1cc(ccc1OCc1ccccc1F)C=C1C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
MFCD04027002
ZINC000101077277
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