Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-8-chloro-N-(2,4-dimethylphenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192541
SMILES Clc1ccc2c(c1)C1NC(=S)N(C(O2)(C1C(=O)Nc1ccc(cc1C)C)C)Cc1ccc2c(c1)OCO2
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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 C28H26ClN3O4S MW 536.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClN3O4S/c1-15-4-7-20(16(2)10-15)30-26(33)24-25-19-12-18(29)6-9-21(19)36-28(24,3)32(27(37)31-25)13-17-5-8-22-23(11-17)35-14-34-22/h4-12,24-25H,13-14H2,1-3H3,(H,30,33)(H,31,37)InChIKey
VGGYGAVTAUOGKZ-UHFFFAOYSA-NSynonyms
3(13benzodioxol5ylmethyl)8chloroN(24dimethylphenyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC1=CC(=C(C=C1)NC(=O)C2C3C4=C(C=CC(=C4)Cl)OC2(N(C(=S)N3)CC5=CC6=C(C=C5)OCO6)C)C
InChI=1SC28H26ClN3O4Sc1154720(16(2)1015)3026(33)2425191218(29)6921(19)3628(243)32(27(37)3125)1317582223(1117)35143422h4122425H1314H213H3(H3033)(H3137)
MFCD22390746
ZINC000101353153
ZINC000101353154
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