Vitas-M small molecule compound

3-(4-methoxybenzyl)-6-[(E)-2-(3-methylphenyl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STK951086
SMILES COc1ccc(cc1)Cc1nnc2n1nc(s2)/C=C/c1cccc(c1)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 C20H18N4OS MW 362.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4OS/c1-14-4-3-5-15(12-14)8-11-19-23-24-18(21-22-20(24)26-19)13-16-6-9-17(25-2)10-7-16/h3-12H,13H2,1-2H3/b11-8+
InChIKey
ONVVRLIGDDKWIY-DHZHZOJOSA-N
Synonyms

1((6((1E)2(3METHYLPHENYL)VINYL)(124TRIAZOLO(34B)134THIADIAZOLIN3YL))METHYL)4METHOXYBENZENE
3((4METHOXYPHENYL)METHYL)6((E)2(3METHYLPHENYL)ETHENYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
3(4methoxybenzyl)6((E)2(3methylphenyl)ethenyl)(124)triazolo(34b)(134)thiadiazole
CC1=CC=CC(=C1)C=CC2=NN3C(=NN=C3S2)CC4=CC=C(C=C4)OC
COc1ccc(cc1)Cc1nnc2n1nc(s2)C=Cc1cccc(c1)C
InChI=1SC20H18N4OSc11443515(1214)81119232418(212220(24)2619)13166917(252)10716h312H13H212H3b118+
MFCD06651110
ZINC000004538926
ZINC04538926
ZINC4538926

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Available files

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