Vitas-M small molecule compound
5-amino-N-(2,4-dimethoxyphenyl)-1-{2-[(3-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL081779
SMILES COc1cc(OC)ccc1NC(=O)c1nnn(c1N)CC(=O)Nc1cccc(c1)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 C20H22N6O4 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O4/c1-12-5-4-6-13(9-12)22-17(27)11-26-19(21)18(24-25-26)20(28)23-15-8-7-14(29-2)10-16(15)30-3/h4-10H,11,21H2,1-3H3,(H,22,27)(H,23,28)InChIKey
KHPXDMZWDGLIEV-UHFFFAOYSA-NSynonyms
5aminoN(24dimethoxyphenyl)1(2((3methylphenyl)amino)2oxoethyl)1H123triazole4carboxamide
5aminoN(24dimethoxyphenyl)1(2(3methylanilino)2oxoethyl)triazole4carboxamide
CC1=CC(=CC=C1)NC(=O)CN2C(=C(N=N2)C(=O)NC3=C(C=C(C=C3)OC)OC)N
InChI=1SC20H22N6O4c11254613(912)2217(27)112619(21)18(242526)20(28)23158714(292)1016(15)303h410H1121H213H3(H2227)(H2328)
MFCD14927905
ZINC000006998994
ZINC06998994
ZINC6998994
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