Vitas-M small molecule compound
4-benzyl-5-[(2-methylphenoxy)methyl]-2-(9H-xanthen-9-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK736590
SMILES Cc1ccccc1OCc1nn(c(=S)n1Cc1ccccc1)C1c2ccccc2Oc2c1cccc2
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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 C30H25N3O2S MW 491.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O2S/c1-21-11-5-8-16-25(21)34-20-28-31-33(30(36)32(28)19-22-12-3-2-4-13-22)29-23-14-6-9-17-26(23)35-27-18-10-7-15-24(27)29/h2-18,29H,19-20H2,1H3InChIKey
CWCYUCZSTVGYON-UHFFFAOYSA-NSynonyms
4BENZYL5((2METHYLPHENOXY)METHYL)2(9HXANTHEN9YL)124TRIAZOLE3THIONE
4benzyl5((2methylphenoxy)methyl)2(9Hxanthen9yl)24dihydro3H124triazole3thione
CC1=CC=CC=C1OCC2=NN(C(=S)N2CC3=CC=CC=C3)C4C5=CC=CC=C5OC6=CC=CC=C46
InChI=1SC30H25N3O2Sc12111581625(21)3420283133(30(36)32(28)1922123241322)292314691726(23)3527181071524(27)29h21829H1920H21H3
MFCD07800509
ZINC000012463139
ZINC12463139
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