Vitas-M small molecule compound

(5Z)-5-(4-butoxy-3-methoxybenzylidene)-2-[(E)-2-(4-methylphenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK800341
SMILES CCCCOc1ccc(cc1OC)/C=c/1\sc2n(c1=O)nc(n2)/C=C/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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c1-4-5-14-31-20-12-10-19(15-21(20)30-3)16-22-24(29)28-25(32-22)26-23(27-28)13-11-18-8-6-17(2)7-9-18/h6-13,15-16H,4-5,14H2,1-3H3/b13-11+,22-16-
InChIKey
PSANGXKELMHPQG-YLEGLNDPSA-N
Synonyms

(5Z)5((4butoxy3methoxyphenyl)methylidene)2((E)2(4methylphenyl)ethenyl)(13)thiazolo(32b)(124)triazol6one
(5Z)5(4butoxy3methoxybenzylidene)2((E)2(4methylphenyl)ethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C=CC4=CC=C(C=C4)C)S2)OC
CCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)C=Cc1ccc(cc1)C
InChI=1SC25H25N3O3Sc145143120121019(1521(20)303)162224(29)2825(3222)2623(2728)1311188617(2)7918h6131516H4514H213H3b1311+2216
MFCD06642878
ZINC000016735647
ZINC16735647

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Available files

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