Vitas-M small molecule compound

4-methyl-N-{2-[(2Z)-2-(6'-methyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-ylidene)hydrazinyl]-2-oxo-1-phenylethyl}benzenesulfonamide

Catalog ID
STK617456
SMILES O=C(C(c1ccccc1)NS(=O)(=O)c1ccc(cc1)C)N/N=c\1/cc(C)c2c(o1)cc1c(c2)CCC2(O1)CCCCC2

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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 C33H35N3O5S MW 585.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35N3O5S/c1-22-11-13-26(14-12-22)42(38,39)36-31(24-9-5-3-6-10-24)32(37)35-34-30-19-23(2)27-20-25-15-18-33(16-7-4-8-17-33)41-28(25)21-29(27)40-30/h3,5-6,9-14,19-21,31,36H,4,7-8,15-18H2,1-2H3,(H,35,37)/b34-30-
InChIKey
WQAUOKIUHIDWRF-BVNFUTIRSA-N
Synonyms

(Z)4methylN(2(2(6methyl3Hspiro(cyclohexane12pyrano(32g)chromen)8(4H)ylidene)hydrazinyl)2oxo1phenylethyl)benzenesulfonamide
2((4methylphenyl)sulfonylamino)N((Z)(6methylspiro(34dihydropyrano(32g)chromene21cyclohexane)8ylidene)amino)2phenylacetamide
4methylN(2((2Z)2(6methyl34dihydro8Hspiro(cyclohexane12pyrano(32g)chromen)8ylidene)hydrazinyl)2oxo1phenylethyl)benzenesulfonamide
CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)NN=C3C=C(C4=CC5=C(C=C4O3)OC6(CCCCC6)CC5)C
InChI=1SC33H35N3O5Sc122111326(141222)42(3839)3631(2495361024)32(37)3534301923(2)272025151833(167481733)4128(25)2129(27)4030h35691419213136H4781518H212H3(H3537)b3430
O=C(C(c1ccccc1)NS(=O)(=O)c1ccc(cc1)C)NN=c1cc(C)c2c(o1)cc1c(c2)CCC2(O1)CCCCC2
ZINC000101487338
ZINC000101487340

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Available files

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