Vitas-M small molecule compound

(5Z)-5-[4-(heptyloxy)benzylidene]-2-[(E)-2-phenylethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK800652
SMILES CCCCCCCOc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(n2)/C=C/c1ccccc1

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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 C26H27N3O2S MW 445.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O2S/c1-2-3-4-5-9-18-31-22-15-12-21(13-16-22)19-23-25(30)29-26(32-23)27-24(28-29)17-14-20-10-7-6-8-11-20/h6-8,10-17,19H,2-5,9,18H2,1H3/b17-14+,23-19-
InChIKey
MQKSSKISGXYPIP-GKKKVQSUSA-N
Synonyms

(5Z)5((4heptoxyphenyl)methylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6one
(5Z)5(4(heptyloxy)benzylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C=CC4=CC=CC=C4)S2
CCCCCCCOc1ccc(cc1)C=c1sc2n(c1=O)nc(n2)C=Cc1ccccc1
InChI=1SC26H27N3O2Sc123459183122151221(131622)192325(30)2926(3223)2724(2829)171420107681120h68101719H25918H21H3b1714+2319
MFCD06642903
ZINC000097946822
ZINC97946822

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Available files

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