Vitas-M small molecule compound

methyl {[5-(4-ethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

Catalog ID
STK481536
SMILES CCOc1ccc(cc1)c1nnc(n1C)SCC(=O)OC

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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 C14H17N3O3S MW 307.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N3O3S/c1-4-20-11-7-5-10(6-8-11)13-15-16-14(17(13)2)21-9-12(18)19-3/h5-8H,4,9H2,1-3H3
InChIKey
HZSMCMZULXEGGM-UHFFFAOYSA-N
Synonyms

CCOC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)OC
InChI=1SC14H17N3O3Sc1420117510(6811)13151614(17(13)2)21912(18)193h58H49H213H3
methyl((5(4ethoxyphenyl)4methyl4H124triazol3yl)sulfanyl)acetate
METHYL2((5(4ETHOXYPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETATE
METHYL2(5(4ETHOXYPHENYL)4METHYL124TRIAZOL3YLTHIO)ACETATE
MFCD06142600
ZINC000006726616
ZINC06726616
ZINC6726616

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.