Vitas-M small molecule compound
N-(3,5-dimethylphenyl)-6-(4-methylphenyl)-3-(phenoxymethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Catalog ID
STL360130
SMILES O=C(C1Sc2nnc(n2NC1c1ccc(cc1)C)COc1ccccc1)Nc1cc(C)cc(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 C27H27N5O2S MW 485.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O2S/c1-17-9-11-20(12-10-17)24-25(26(33)28-21-14-18(2)13-19(3)15-21)35-27-30-29-23(32(27)31-24)16-34-22-7-5-4-6-8-22/h4-15,24-25,31H,16H2,1-3H3,(H,28,33)InChIKey
OXPVHEYUASMSAR-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2C(SC3=NN=C(N3N2)COC4=CC=CC=C4)C(=O)NC5=CC(=CC(=C5)C)C
InChI=1SC27H27N5O2Sc11791120(121017)2425(26(33)28211418(2)1319(3)1521)3527302923(32(27)3124)1634227546822h415242531H16H213H3(H2833)
MFCD08575546
N(35dimethylphenyl)6(4methylphenyl)3(phenoxymethyl)67dihydro5H(124)triazolo(34b)(134)thiadiazine7carboxamide
ZINC000009295356
ZINC000009295359
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