Vitas-M small molecule compound
(6E)-6-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK074442
SMILES COc1cc(cc(c1OCc1ccc(cc1)[N+](=O)[O-])Cl)/C=C\1/C(=O)N=c2n(C1=N)ncs2
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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 C20H14ClN5O5S MW 471.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14ClN5O5S/c1-30-16-8-12(6-14-18(22)25-20(24-19(14)27)32-10-23-25)7-15(21)17(16)31-9-11-2-4-13(5-3-11)26(28)29/h2-8,10,22H,9H2,1H3/b14-6+,22-18-InChIKey
UCJMDYNKGHYDDP-MIMCNAOXSA-NSynonyms
(6E)6(3chloro5methoxy4((4nitrobenzyl)oxy)benzylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(cc(c1OCc1ccc(cc1)(N+)(=O)(O))Cl)C=C1C(=O)N=c2n(C1=N)ncs2
MFCD05977377
STK074442
ZINC000013899149
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