Vitas-M small molecule compound

5-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK626430
SMILES S=c1[nH]nc(n1Cc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2

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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 C17H13N3O4S MW 355.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O4S/c25-17-19-18-16(11-2-4-13-15(6-11)24-9-22-13)20(17)7-10-1-3-12-14(5-10)23-8-21-12/h1-6H,7-9H2,(H,19,25)
InChIKey
FWPJHWXLNYGDRO-UHFFFAOYSA-N
Synonyms
951984-43-3
3(13benzodioxol5yl)4(13benzodioxol5ylmethyl)1H124triazole5thione
5(13benzodioxol5yl)4(13benzodioxol5ylmethyl)24dihydro3H124triazole3thione
951984433
C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)C4=CC5=C(C=C4)OCO5
InChI=1SC17H13N3O4Sc2517191816(11241315(611)2492213)20(17)710131214(510)2382112h16H79H2(H1925)
MFCD18159167
S=c1(nH)nc(n1Cc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2
ZINC000013720931
ZINC13720931

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Available files

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