Vitas-M small molecule compound
(6Z)-6-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzylidene]-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK030966
SMILES COc1cc(cc(c1OCc1cccc2c1cccc2)Br)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1ccc(cc1)C
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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 C31H23BrN4O3S MW 611.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23BrN4O3S/c1-18-10-12-21(13-11-18)30-35-36-28(33)24(29(37)34-31(36)40-30)14-19-15-25(32)27(26(16-19)38-2)39-17-22-8-5-7-20-6-3-4-9-23(20)22/h3-16,33H,17H2,1-2H3/b24-14-,33-28-InChIKey
FAWBLPNMSNKLKT-MKZFGSEKSA-NSynonyms
(6Z)6(3bromo5methoxy4(naphthalen1ylmethoxy)benzylidene)5imino2(4methylphenyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(cc(c1OCc1cccc2c1cccc2)Br)C=C1C(=O)N=c2n(C1=N)nc(s2)c1ccc(cc1)C
MFCD08050289
STK030966
ZINC000097958158
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