Vitas-M small molecule compound

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

Catalog ID
STK801153
SMILES CCCCCOc1ccc(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 C26H27N3O3S MW 461.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O3S/c1-4-5-6-15-32-21-13-11-20(16-22(21)31-3)17-23-25(30)29-26(33-23)27-24(28-29)14-12-19-9-7-18(2)8-10-19/h7-14,16-17H,4-6,15H2,1-3H3/b14-12+,23-17-
InChIKey
NPXIMVIWOKGNFE-NLSZJBPJSA-N
Synonyms

(5Z)5((3methoxy4pentoxyphenyl)methylidene)2((E)2(4methylphenyl)ethenyl)(13)thiazolo(32b)(124)triazol6one
(5Z)5(3methoxy4(pentyloxy)benzylidene)2((E)2(4methylphenyl)ethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C=CC4=CC=C(C=C4)C)S2)OC
CCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)C=Cc1ccc(cc1)C
InChI=1SC26H27N3O3Sc1456153221131120(1622(21)313)172325(30)2926(3323)2724(2829)1412199718(2)81019h7141617H4615H213H3b1412+2317
MFCD06642960
ZINC000016736126
ZINC16736126

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Available files

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