Vitas-M small molecule compound

(5Z)-2-(4-chlorophenyl)-5-[4-(heptyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK815857
SMILES CCCCCCCOc1ccc(cc1OC)/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)Cl

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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 C25H26ClN3O3S MW 484.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClN3O3S/c1-3-4-5-6-7-14-32-20-13-8-17(15-21(20)31-2)16-22-24(30)29-25(33-22)27-23(28-29)18-9-11-19(26)12-10-18/h8-13,15-16H,3-7,14H2,1-2H3/b22-16-
InChIKey
OFVCZHAJTOMNIH-JWGURIENSA-N
Synonyms
797796-12-4
(5Z)2(4CHLOROPHENYL)5((4HEPTOXY3METHOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)2(4chlorophenyl)5(4(heptyloxy)3methoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)2(4chlorophenyl)5(4(heptyloxy)3methoxybenzylidene)thiazolo(32b)(124)triazol6(5H)one
797796124
CCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Cl)S2)OC
CCCCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)Cl
InChI=1SC25H26ClN3O3Sc13456714322013817(1521(20)312)162224(30)2925(3322)2723(2829)1891119(26)121018h8131516H3714H212H3b2216
MFCD03667017
ZINC000100894374
ZINC100894374

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Available files

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