Vitas-M small molecule compound
6-(3-chloro-4-methoxyphenyl)-3-ethyl-N-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Catalog ID
STL359921
SMILES CCc1nnc2n1NC(c1ccc(c(c1)Cl)OC)C(S2)C(=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 C21H22ClN5O2S MW 443.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN5O2S/c1-4-17-24-25-21-27(17)26-18(13-8-9-16(29-3)15(22)11-13)19(30-21)20(28)23-14-7-5-6-12(2)10-14/h5-11,18-19,26H,4H2,1-3H3,(H,23,28)InChIKey
ISIDTWMTQMWPBC-UHFFFAOYSA-NSynonyms
891036-78-56(3chloro4methoxyphenyl)3ethylN(3methylphenyl)67dihydro5H(124)triazolo(34b)(134)thiadiazine7carboxamide
891036785
CCC1=NN=C2N1NC(C(S2)C(=O)NC3=CC=CC(=C3)C)C4=CC(=C(C=C4)OC)Cl
InChI=1SC21H22ClN5O2Sc141724252127(17)2618(138916(293)15(22)1113)19(3021)20(28)231475612(2)1014h511181926H4H213H3(H2328)
MFCD08098770
ZINC000009239165
ZINC000009239169
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