Vitas-M small molecule compound
11-(2-methoxyphenyl)-3,3-dimethyl-10-(thiophen-2-ylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK513683
SMILES COc1ccccc1C1C2=C(Nc3c(N1C(=O)c1cccs1)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 C27H26N2O3S MW 458.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O3S/c1-27(2)15-19-24(21(30)16-27)25(17-9-4-7-12-22(17)32-3)29(26(31)23-13-8-14-33-23)20-11-6-5-10-18(20)28-19/h4-14,25,28H,15-16H2,1-3H3InChIKey
ROMWCOBCZJIKGK-UHFFFAOYSA-NSynonyms
11(2methoxyphenyl)33dimethyl10(thiophen2ylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(2methoxyphenyl)99dimethyl5(thiophene2carbonyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C4=CC=CS4)C5=CC=CC=C5OC)C(=O)C1)C
InChI=1SC27H26N2O3Sc127(2)151924(21(30)1627)25(179471222(17)323)29(26(31)23138143323)2011651018(20)2819h4142528H1516H213H3
MFCD13370424
ZINC000015826279
ZINC000015826282
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