Vitas-M small molecule compound
methyl 6-tert-butyl-2-[(9H-xanthen-9-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK441405
SMILES COC(=O)c1c(NC(=O)C2c3ccccc3Oc3c2cccc3)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 C28H29NO4S MW 475.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO4S/c1-28(2,3)16-13-14-19-22(15-16)34-26(24(19)27(31)32-4)29-25(30)23-17-9-5-7-11-20(17)33-21-12-8-6-10-18(21)23/h5-12,16,23H,13-15H2,1-4H3,(H,29,30)InChIKey
BNKFTKHLTWQKBT-UHFFFAOYSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35
InChI=1SC28H29NO4Sc128(23)1613141922(1516)3426(24(19)27(31)324)2925(30)23179571120(17)332112861018(21)23h5121623H1315H214H3(H2930)
methyl6tertbutyl2((9Hxanthen9ylcarbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2(9Hxanthene9carbonylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD03377112
ZINC000002750104
ZINC000002750105
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