Vitas-M small molecule compound
methyl 4-[1-oxo-10-propanoyl-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Catalog ID
STK678254
SMILES CCC(=O)N1C(c2ccc(cc2)C(=O)OC)C2=C(Nc3c1cccc3)CC(CC2=O)c1cccs1
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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 C28H26N2O4S MW 486.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O4S/c1-3-25(32)30-22-8-5-4-7-20(22)29-21-15-19(24-9-6-14-35-24)16-23(31)26(21)27(30)17-10-12-18(13-11-17)28(33)34-2/h4-14,19,27,29H,3,15-16H2,1-2H3InChIKey
PNUSRDRSZUNQKB-UHFFFAOYSA-NSynonyms
CCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CS3)NC4=CC=CC=C41)C5=CC=C(C=C5)C(=O)OC
InChI=1SC28H26N2O4Sc1325(32)3022854720(22)29211519(2496143524)1623(31)26(21)27(30)17101218(131117)28(33)342h414192729H31516H212H3
methyl4(1oxo10propanoyl3(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
methyl4(7oxo5propanoyl9thiophen2yl891011tetrahydro6Hbenzo(b)(14)benzodiazepin6yl)benzoate
MFCD03034319
ZINC000000718209
ZINC000000718212
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