Vitas-M small molecule compound
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL192692
SMILES O=C(Cn1nnc(c1N)C(=O)NCc1ccc2c(c1)OCO2)Nc1ccc(c(c1)Cl)C
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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 C20H19ClN6O4 MW 442.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN6O4/c1-11-2-4-13(7-14(11)21)24-17(28)9-27-19(22)18(25-26-27)20(29)23-8-12-3-5-15-16(6-12)31-10-30-15/h2-7H,8-10,22H2,1H3,(H,23,29)(H,24,28)InChIKey
HVUPMBSGGNXZAQ-UHFFFAOYSA-NSynonyms
5aminoN(13benzodioxol5ylmethyl)1(2((3chloro4methylphenyl)amino)2oxoethyl)1H123triazole4carboxamide
5aminoN(13benzodioxol5ylmethyl)1(2(3chloro4methylanilino)2oxoethyl)triazole4carboxamide
CC1=C(C=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N)Cl
InChI=1SC20H19ClN6O4c1112413(714(11)21)2417(28)92719(22)18(252627)20(29)23812351516(612)31103015h27H81022H21H3(H2329)(H2428)
MFCD22390794
ZINC000008595593
ZINC8595593
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