Vitas-M small molecule compound
methyl 4-{[(6-tert-butyl-2-{[(4-fluorophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}benzoate
Catalog ID
STK012284
SMILES COC(=O)c1ccc(cc1)NC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)NC(=O)c1ccc(cc1)F
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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 C28H29FN2O4S MW 508.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29FN2O4S/c1-28(2,3)18-9-14-21-22(15-18)36-26(31-24(32)16-5-10-19(29)11-6-16)23(21)25(33)30-20-12-7-17(8-13-20)27(34)35-4/h5-8,10-13,18H,9,14-15H2,1-4H3,(H,30,33)(H,31,32)InChIKey
ADEBPOXCFFVOAI-UHFFFAOYSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)C(=O)OC)NC(=O)C4=CC=C(C=C4)F
COC(=O)c1ccc(cc1)NC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)NC(=O)c1ccc(cc1)F
InChI=1SC28H29FN2O4Sc128(23)189142122(1518)3626(3124(32)1651019(29)11616)23(21)25(33)302012717(81320)27(34)354h58101318H91415H214H3(H3033)(H3132)
methyl4(((6tertbutyl2(((4fluorophenyl)carbonyl)amino)4567tetrahydro1benzothiophen3yl)carbonyl)amino)benzoate
methyl4((6tertbutyl2((4fluorobenzoyl)amino)4567tetrahydro1benzothiophene3carbonyl)amino)benzoate
MFCD03236875
STK012284
ZINC000002182431
ZINC000002182432
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