Vitas-M small molecule compound
6-(3-chloro-4-methoxyphenyl)-3-methyl-N-(4-methylbenzyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Catalog ID
STL358988
SMILES COc1ccc(cc1Cl)C1Nn2c(SC1C(=O)NCc1ccc(cc1)C)nnc2C
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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/c1-12-4-6-14(7-5-12)11-23-20(28)19-18(15-8-9-17(29-3)16(22)10-15)26-27-13(2)24-25-21(27)30-19/h4-10,18-19,26H,11H2,1-3H3,(H,23,28)InChIKey
FILXEVQQHXEUBN-UHFFFAOYSA-NSynonyms
6(3chloro4methoxyphenyl)3methylN((4methylphenyl)methyl)67dihydro5H(124)triazolo(34b)(134)thiadiazine7carboxamide
6(3chloro4methoxyphenyl)3methylN(4methylbenzyl)67dihydro5H(124)triazolo(34b)(134)thiadiazine7carboxamide
CC1=CC=C(C=C1)CNC(=O)C2C(NN3C(=NN=C3S2)C)C4=CC(=C(C=C4)OC)Cl
InChI=1SC21H22ClN5O2Sc1124614(7512)112320(28)1918(158917(293)16(22)1015)262713(2)242521(27)3019h410181926H11H213H3(H2328)
MFCD07433487
ZINC000009238643
ZINC000009238646
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