Vitas-M small molecule compound
methyl 2-[({2-[(azepan-1-ylacetyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}carbonyl)amino]benzoate
Catalog ID
STK385214
SMILES COC(=O)c1ccccc1NC(=O)c1c(NC(=O)CN2CCCCCC2)sc2c1CCC(C2)C(C)(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 C29H39N3O4S MW 525.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39N3O4S/c1-29(2,3)19-13-14-21-23(17-19)37-27(31-24(33)18-32-15-9-5-6-10-16-32)25(21)26(34)30-22-12-8-7-11-20(22)28(35)36-4/h7-8,11-12,19H,5-6,9-10,13-18H2,1-4H3,(H,30,34)(H,31,33)InChIKey
BGRBJINMRRDDNB-UHFFFAOYSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3C(=O)OC)NC(=O)CN4CCCCCC4
InChI=1SC29H39N3O4Sc129(23)1913142123(1719)3727(3124(33)183215956101632)25(21)26(34)302212871120(22)28(35)364h78111219H569101318H214H3(H3034)(H3133)
methyl2(((2((azepan1ylacetyl)amino)6tertbutyl4567tetrahydro1benzothiophen3yl)carbonyl)amino)benzoate
methyl2((2((2(azepan1yl)acetyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carbonyl)amino)benzoate
MFCD03103544
ZINC000015946046
ZINC000015946048
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