Vitas-M small molecule compound
3,3-dimethyl-10-[(4-methylphenyl)carbonyl]-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK513685
SMILES Cc1ccc(cc1)C(=O)N1c2ccccc2NC2=C(C1c1cccs1)C(=O)CC(C2)(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 C27H26N2O2S MW 442.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O2S/c1-17-10-12-18(13-11-17)26(31)29-21-8-5-4-7-19(21)28-20-15-27(2,3)16-22(30)24(20)25(29)23-9-6-14-32-23/h4-14,25,28H,15-16H2,1-3H3InChIKey
CHUMWJBCGUVNFZ-UHFFFAOYSA-NSynonyms
33dimethyl10((4methylphenyl)carbonyl)11(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
99dimethyl5(4methylbenzoyl)6thiophen2yl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1=CC=C(C=C1)C(=O)N2C(C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C42)C5=CC=CS5
InChI=1SC27H26N2O2Sc117101218(131117)26(31)2921854719(21)28201527(23)1622(30)24(20)25(29)2396143223h4142528H1516H213H3
MFCD13370425
ZINC000015826285
ZINC000015826289
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