Vitas-M small molecule compound

5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-{2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide

Catalog ID
STL081797
SMILES O=C(Nc1cc(C)ccc1C)Cn1nnc(c1N)C(=O)NCc1ccc2c(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 C21H22N6O4 MW 422.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O4/c1-12-3-4-13(2)15(7-12)24-18(28)10-27-20(22)19(25-26-27)21(29)23-9-14-5-6-16-17(8-14)31-11-30-16/h3-8H,9-11,22H2,1-2H3,(H,23,29)(H,24,28)
InChIKey
SZEXKGNWWJQRKZ-UHFFFAOYSA-N
Synonyms
894569-22-3
5aminoN(13benzodioxol5ylmethyl)1(2((25dimethylphenyl)amino)2oxoethyl)1H123triazole4carboxamide
5aminoN(13benzodioxol5ylmethyl)1(2(25dimethylanilino)2oxoethyl)triazole4carboxamide
894569223
CC1=CC(=C(C=C1)C)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N
InChI=1SC21H22N6O4c1123413(2)15(712)2418(28)102720(22)19(252627)21(29)23914561617(814)31113016h38H91122H212H3(H2329)(H2428)
MFCD14927974
ZINC000020575009
ZINC20575009

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Available files

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