Vitas-M small molecule compound
4-[2-(3,4-dimethoxyphenyl)ethyl]-5-(9H-xanthen-9-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK450350
SMILES COc1ccc(cc1OC)CCn1c(S)nnc1C1c2ccccc2Oc2c1cccc2
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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 C25H23N3O3S MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3S/c1-29-21-12-11-16(15-22(21)30-2)13-14-28-24(26-27-25(28)32)23-17-7-3-5-9-19(17)31-20-10-6-4-8-18(20)23/h3-12,15,23H,13-14H2,1-2H3,(H,27,32)InChIKey
OVDBFLASWOTVAJ-UHFFFAOYSA-NSynonyms
4(2(34dimethoxyphenyl)ethyl)3(9Hxanthen9yl)1H124triazole5thione
4(2(34dimethoxyphenyl)ethyl)5(9Hxanthen9yl)4H124triazole3thiol
4(2(34DIMETHOXYPHENYL)ETHYL)5XANTHEN9YL124TRIAZOLE3THIOL
COC1=C(C=C(C=C1)CCN2C(=NNC2=S)C3C4=CC=CC=C4OC5=CC=CC=C35)OC
InChI=1SC25H23N3O3Sc12921121116(1522(21)302)13142824(262725(28)32)2317735919(17)31201064818(20)23h3121523H1314H212H3(H2732)
MFCD06758119
ZINC000019643679
ZINC19643679
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