Vitas-M small molecule compound
N-(4-chlorophenyl)-6-(4-ethoxyphenyl)-3-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Catalog ID
STL359858
SMILES CCOc1ccc(cc1)C1Nn2c(SC1C(=O)Nc1ccc(cc1)Cl)nnc2CC
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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/c1-3-17-24-25-21-27(17)26-18(13-5-11-16(12-6-13)29-4-2)19(30-21)20(28)23-15-9-7-14(22)8-10-15/h5-12,18-19,26H,3-4H2,1-2H3,(H,23,28)InChIKey
QMOXSPXGUFPXKJ-UHFFFAOYSA-NSynonyms
891031-85-9891031859
CCC1=NN=C2N1NC(C(S2)C(=O)NC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OCC
InChI=1SC21H22ClN5O2Sc131724252127(17)2618(1351116(12613)2942)19(3021)20(28)23159714(22)81015h512181926H34H212H3(H2328)
MFCD08107037
N(4chlorophenyl)6(4ethoxyphenyl)3ethyl67dihydro5H(124)triazolo(34b)(134)thiadiazine7carboxamide
ZINC000009197496
ZINC000009197515
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