Vitas-M small molecule compound
N-(3-chloro-2-methylphenyl)-6-(4-ethoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Catalog ID
STL358939
SMILES CCOc1ccc(cc1)C1Nn2c(C)nnc2SC1C(=O)Nc1cccc(c1C)Cl
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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 C21H22ClN5O2S MW 443.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN5O2S/c1-4-29-15-10-8-14(9-11-15)18-19(30-21-25-24-13(3)27(21)26-18)20(28)23-17-7-5-6-16(22)12(17)2/h5-11,18-19,26H,4H2,1-3H3,(H,23,28)InChIKey
GKYXPNIHRNZNBT-UHFFFAOYSA-NSynonyms
874586-27-3874586273
CCOC1=CC=C(C=C1)C2C(SC3=NN=C(N3N2)C)C(=O)NC4=C(C(=CC=C4)Cl)C
InChI=1SC21H22ClN5O2Sc14291510814(91115)1819(3021252413(3)27(21)2618)20(28)231775616(22)12(17)2h511181926H4H213H3(H2328)
MFCD07433431
N(3chloro2methylphenyl)6(4ethoxyphenyl)3methyl67dihydro5H(124)triazolo(34b)(134)thiadiazine7carboxamide
ZINC000009238981
ZINC000009238984
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