Vitas-M small molecule compound

10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK136907
SMILES CCCCCOc1ccc(cc1)C1C2=C(Nc3c(N1C(=O)CCCCC)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 C32H42N2O3 MW 502.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H42N2O3/c1-5-7-9-15-29(36)34-27-14-11-10-13-25(27)33-26-21-32(3,4)22-28(35)30(26)31(34)23-16-18-24(19-17-23)37-20-12-8-6-2/h10-11,13-14,16-19,31,33H,5-9,12,15,20-22H2,1-4H3
InChIKey
SMUHTHHGFHAPPF-UHFFFAOYSA-N
Synonyms
406914-54-3
10hexanoyl33dimethyl11(4(pentyloxy)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
406914543
5hexanoyl99dimethyl6(4pentoxyphenyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(C=C4)OCCCCC
InChI=1SC32H42N2O3c15791529(36)34271411101325(27)33262132(34)2228(35)30(26)31(34)23161824(191723)372012862h1011131416193133H5912152022H214H3
MFCD01921841
ZINC000009196770
ZINC000018249482

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Available files

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