Vitas-M small molecule compound
11-(3,4-dimethoxyphenyl)-3,3-dimethyl-1-oxo-N-(tetrahydrofuran-2-ylmethyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Catalog ID
STK149983
SMILES COc1ccc(cc1OC)C1C2=C(Nc3c(N1C(=S)NCC1CCCO1)cccc3)CC(CC2=O)(C)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 C29H35N3O4S MW 521.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O4S/c1-29(2)15-21-26(23(33)16-29)27(18-11-12-24(34-3)25(14-18)35-4)32(22-10-6-5-9-20(22)31-21)28(37)30-17-19-8-7-13-36-19/h5-6,9-12,14,19,27,31H,7-8,13,15-17H2,1-4H3,(H,30,37)InChIKey
BUUKWZDNHRKJFA-UHFFFAOYSA-NSynonyms
11(34DIMETHOXYPHENYL)33DIMETHYL10(((OXOLAN2YLMETHYL)AMINO)THIOXOMETHYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
11(34dimethoxyphenyl)33dimethyl1oxoN(tetrahydrofuran2ylmethyl)1234511hexahydro10Hdibenzo(be)(14)diazepine10carbothioamide
6(34dimethoxyphenyl)99dimethyl7oxoN(oxolan2ylmethyl)681011tetrahydrobenzo(b)(14)benzodiazepine5carbothioamide
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=S)NCC4CCCO4)C5=CC(=C(C=C5)OC)OC)C(=O)C1)C
InChI=1SC29H35N3O4Sc129(2)152126(23(33)1629)27(18111224(343)25(1418)354)32(221065920(22)3121)28(37)30171987133619h5691214192731H78131517H214H3(H3037)
MFCD04221961
ZINC000001459839
ZINC000001459842
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