Vitas-M small molecule compound

6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-(3-methyl-1-benzofuran-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STL406595
SMILES COc1cc(/C=C/c2nn3c(s2)nnc3c2oc3c(c2C)cccc3)ccc1OC

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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 C22H18N4O3S MW 418.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O3S/c1-13-15-6-4-5-7-16(15)29-20(13)21-23-24-22-26(21)25-19(30-22)11-9-14-8-10-17(27-2)18(12-14)28-3/h4-12H,1-3H3/b11-9+
InChIKey
TVSNUCJSSCZIOT-PKNBQFBNSA-N
Synonyms

6((E)2(34dimethoxyphenyl)ethenyl)3(3methyl1benzofuran2yl)(124)triazolo(34b)(134)thiadiazole
6(2(34DIMETHOXYPHENYL)VINYL)3(3METHYL1BENZOFURAN2YL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
CC1=C(OC2=CC=CC=C12)C3=NN=C4N3N=C(S4)C=CC5=CC(=C(C=C5)OC)OC
COc1cc(C=Cc2nn3c(s2)nnc3c2oc3c(c2C)cccc3)ccc1OC
InChI=1SC22H18N4O3Sc11315645716(15)2920(13)2123242226(21)2519(3022)1191481017(272)18(1214)283h412H13H3b119+
MFCD28988045
ZINC000096194388
ZINC96194388

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Available files

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