Vitas-M small molecule compound

(2E,2'E)-N,N'-(methanediyldicyclohexane-4,1-diyl)bis[3-(1,3-benzodioxol-5-yl)prop-2-enamide]

Catalog ID
STK420303
SMILES O=C(NC1CCC(CC1)CC1CCC(CC1)NC(=O)/C=C/c1ccc2c(c1)OCO2)/C=C/c1ccc2c(c1)OCO2

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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 C33H38N2O6 MW 558.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H38N2O6/c36-32(15-7-24-5-13-28-30(18-24)40-20-38-28)34-26-9-1-22(2-10-26)17-23-3-11-27(12-4-23)35-33(37)16-8-25-6-14-29-31(19-25)41-21-39-29/h5-8,13-16,18-19,22-23,26-27H,1-4,9-12,17,20-21H2,(H,34,36)(H,35,37)/b15-7+,16-8+
InChIKey
OCGDODZXYLOWBX-BGPOSVGRSA-N
Synonyms
1025237-36-8
(2E)N(4((4((2E)3(2HBENZO(34D)13DIOXOLAN5YL)PROP2ENOYLAMINO)CYCLOHEXYL)METHYL)CYCLOHEXYL)3(2HBENZO(34D)13DIOXOLAN5YL)PROP2ENAMIDE
(2E2E)NN(methanediyldicyclohexane41diyl)bis(3(13benzodioxol5yl)prop2enamide)
(E)3(13BENZODIOXOL5YL)N(4((4(((E)3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)CYCLOHEXYL)METHYL)CYCLOHEXYL)PROP2ENAMIDE
1025237368
3(13BENZODIOXOL5YL)N(4((4((3(13BENZODIOXOL5YL)ACRYLOYL)AMINO)CYCLOHEXYL)METHYL)CYCLOHEXYL)ACRYLAMIDE
C1CC(CCC1CC2CCC(CC2)NC(=O)C=CC3=CC4=C(C=C3)OCO4)NC(=O)C=CC5=CC6=C(C=C5)OCO6
InChI=1SC33H38N2O6c3632(157245132830(1824)40203828)34269122(21026)172331127(12423)3533(37)168256142931(1925)41213929h581316181922232627H14912172021H2(H3436)(H3537)b157+168+
MFCD02334683
O=C(NC1CCC(CC1)CC1CCC(CC1)NC(=O)C=Cc1ccc2c(c1)OCO2)C=Cc1ccc2c(c1)OCO2
ZINC000008443717
ZINC08443717
ZINC8443717

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Available files

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