Vitas-M small molecule compound
N-(3-chloro-4-methylphenyl)-3-ethyl-6-(4-ethylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Catalog ID
STL359815
SMILES CCc1nnc2n1NC(c1ccc(cc1)CC)C(S2)C(=O)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 C22H24ClN5OS MW 441.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN5OS/c1-4-14-7-9-15(10-8-14)19-20(30-22-26-25-18(5-2)28(22)27-19)21(29)24-16-11-6-13(3)17(23)12-16/h6-12,19-20,27H,4-5H2,1-3H3,(H,24,29)InChIKey
ICDSDOBZBRGIJJ-UHFFFAOYSA-NSynonyms
891059-65-7891059657
CCC1=CC=C(C=C1)C2C(SC3=NN=C(N3N2)CC)C(=O)NC4=CC(=C(C=C4)C)Cl
InChI=1SC22H24ClN5OSc14147915(10814)1920(3022262518(52)28(22)2719)21(29)241611613(3)17(23)1216h612192027H45H213H3(H2429)
MFCD08107131
N(3chloro4methylphenyl)3ethyl6(4ethylphenyl)67dihydro5H(124)triazolo(34b)(134)thiadiazine7carboxamide
ZINC000009197061
ZINC000009197073
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