Vitas-M small molecule compound

benzyl {1-[(2E)-2-(6'-methyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-ylidene)hydrazinyl]-1-oxobutan-2-yl}carbamate

Catalog ID
STK631347
SMILES CCC(C(=O)N/N=c/1\cc(C)c2c(o1)cc1c(c2)CCC2(O1)CCCCC2)NC(=O)OCc1ccccc1

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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 C30H35N3O5 MW 517.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35N3O5/c1-3-24(31-29(35)36-19-21-10-6-4-7-11-21)28(34)33-32-27-16-20(2)23-17-22-12-15-30(13-8-5-9-14-30)38-25(22)18-26(23)37-27/h4,6-7,10-11,16-18,24H,3,5,8-9,12-15,19H2,1-2H3,(H,31,35)(H,33,34)/b32-27+
InChIKey
VVMYTSJINVIGEY-QVAGMWBUSA-N
Synonyms

(E)benzyl(1(2(6methyl3Hspiro(cyclohexane12pyrano(32g)chromen)8(4H)ylidene)hydrazinyl)1oxobutan2yl)carbamate
benzyl(1((2E)2(6methyl34dihydro8Hspiro(cyclohexane12pyrano(32g)chromen)8ylidene)hydrazinyl)1oxobutan2yl)carbamate
benzylN(1((2E)2(6methylspiro(34dihydropyrano(32g)chromene21cyclohexane)8ylidene)hydrazinyl)1oxobutan2yl)carbamate
CCC(C(=O)NN=C1C=C(C2=CC3=C(C=C2O1)OC4(CCCCC4)CC3)C)NC(=O)OCC5=CC=CC=C5
CCC(C(=O)NN=c1cc(C)c2c(o1)cc1c(c2)CCC2(O1)CCCCC2)NC(=O)OCc1ccccc1
InChI=1SC30H35N3O5c1324(3129(35)361921106471121)28(34)3332271620(2)231722121530(138591430)3825(22)1826(23)3727h4671011161824H3589121519H212H3(H3135)(H3334)b3227+
ZINC000008991116
ZINC000008991117

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.