Vitas-M small molecule compound
(6Z)-2-butyl-6-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)benzylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK060209
SMILES CCCCc1sc2=NC(=O)/C(=C\c3cc(Cl)c(c(c3)OC)OCCOc3ccccc3)/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 C25H25ClN4O4S MW 513.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN4O4S/c1-3-4-10-21-29-30-23(27)18(24(31)28-25(30)35-21)13-16-14-19(26)22(20(15-16)32-2)34-12-11-33-17-8-6-5-7-9-17/h5-9,13-15,27H,3-4,10-12H2,1-2H3/b18-13-,27-23-InChIKey
HYVRCZTYZMEBBU-ROVFZUNYSA-NSynonyms
(6Z)2butyl6(3chloro5methoxy4(2phenoxyethoxy)benzylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCCCc1sc2=NC(=O)C(=Cc3cc(Cl)c(c(c3)OC)OCCOc3ccccc3)C(=N)n2n1
MFCD08051502
STK060209
ZINC000009553474
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