Vitas-M small molecule compound

N-(1,3-benzodioxol-5-yl)-2-{[4-ethyl-5-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK218649
SMILES COc1ccc(cc1)Cc1nnc(n1CC)SCC(=O)Nc1ccc2c(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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-3-25-19(10-14-4-7-16(27-2)8-5-14)23-24-21(25)30-12-20(26)22-15-6-9-17-18(11-15)29-13-28-17/h4-9,11H,3,10,12-13H2,1-2H3,(H,22,26)
InChIKey
WLQOCFMSESOIDN-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)OC
InChI=1SC21H22N4O4Sc132519(10144716(272)8514)232421(25)301220(26)2215691718(1115)29132817h4911H3101213H212H3(H2226)
MFCD07398949
N(13BENZODIOXOL5YL)2((4ETHYL5((4METHOXYPHENYL)METHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(13BENZODIOXOL5YL)2((4ETHYL5(4METHOXYBENZYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000009263297
ZINC09263297
ZINC9263297

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Available files

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