Vitas-M small molecule compound
(6Z)-6-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK010971
SMILES CCc1sc2=NC(=O)/C(=C\c3cc(Cl)c(c(c3)OC)OCc3ccc(cc3)[N+](=O)[O-])/C(=N)n2n1
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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 C22H18ClN5O5S MW 499.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN5O5S/c1-3-18-26-27-20(24)15(21(29)25-22(27)34-18)8-13-9-16(23)19(17(10-13)32-2)33-11-12-4-6-14(7-5-12)28(30)31/h4-10,24H,3,11H2,1-2H3/b15-8-,24-20-InChIKey
CDNAVVBCIHGGDT-NUKQAEBTSA-NSynonyms
(6Z)6(3chloro5methoxy4((4nitrobenzyl)oxy)benzylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCc1sc2=NC(=O)C(=Cc3cc(Cl)c(c(c3)OC)OCc3ccc(cc3)(N+)(=O)(O))C(=N)n2n1
MFCD08049394
STK010971
ZINC000012349514
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