Vitas-M small molecule compound

N-[5-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]-1,3-benzodioxole-5-carboxamide

Catalog ID
STK729572
SMILES COc1ccc(cc1NC(=O)c1ccc2c(c1)OCO2)c1nn2c(s1)nnc2CC

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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 C20H17N5O4S MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O4S/c1-3-17-22-23-20-25(17)24-19(30-20)12-5-6-14(27-2)13(8-12)21-18(26)11-4-7-15-16(9-11)29-10-28-15/h4-9H,3,10H2,1-2H3,(H,21,26)
InChIKey
LXBHTVKIBYBNEL-UHFFFAOYSA-N
Synonyms
919025-84-6
919025846
CCC1=NN=C2N1N=C(S2)C3=CC(=C(C=C3)OC)NC(=O)C4=CC5=C(C=C4)OCO5
InChI=1SC20H17N5O4Sc131722232025(17)2419(3020)125614(272)13(812)2118(26)11471516(911)29102815h49H310H212H3(H2126)
MFCD09040316
N(5(3ethyl(124)triazolo(34b)(134)thiadiazol6yl)2methoxyphenyl)13benzodioxole5carboxamide
N(5(3ethyl(124)triazolo(34b)(134)thiadiazol6yl)2methoxyphenyl)benzo(d)(13)dioxole5carboxamide
ZINC000009484839
ZINC09484839
ZINC9484839

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Available files

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