Vitas-M small molecule compound
4-cyclopropyl-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK617502
SMILES COc1cc(ccc1OC)c1n[nH]c(=S)n1C1CC1
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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 C13H15N3O2S MW 277.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O2S/c1-17-10-6-3-8(7-11(10)18-2)12-14-15-13(19)16(12)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3,(H,15,19)InChIKey
QBFBAXWFRLMDAP-UHFFFAOYSA-NSynonyms
951994-61-94cyclopropyl3(34dimethoxyphenyl)1H124triazole5thione
4cyclopropyl5(34dimethoxyphenyl)24dihydro3H124triazole3thione
951994619
COC1=C(C=C(C=C1)C2=NNC(=S)N2C3CC3)OC
COc1cc(ccc1OC)c1n(nH)c(=S)n1C1CC1
InChI=1SC13H15N3O2Sc11710638(711(10)182)12141513(19)16(12)9459h3679H45H212H3(H1519)
MFCD18158714
ZINC000013733973
ZINC13733973
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