Vitas-M small molecule compound

N-{3-[(2Z)-2-(9,9-dimethyl-1,2,3,4,10,11-hexahydro-5H,9H-benzo[c]pyrano[3,2-g]chromen-5-ylidene)hydrazinyl]-3-oxopropyl}-4-methylbenzenesulfonamide (non-preferred name)

Catalog ID
STL011488
SMILES O=C(N/N=c/1\oc2cc3OC(C)(C)CCc3cc2c2c1CCCC2)CCNS(=O)(=O)c1ccc(cc1)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 C28H33N3O5S MW 523.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O5S/c1-18-8-10-20(11-9-18)37(33,34)29-15-13-26(32)30-31-27-22-7-5-4-6-21(22)23-16-19-12-14-28(2,3)36-24(19)17-25(23)35-27/h8-11,16-17,29H,4-7,12-15H2,1-3H3,(H,30,32)/b31-27-
InChIKey
MBWDRUFGITYDFU-QVTSOHHYSA-N
Synonyms
1014405-33-4
(Z)N(3(2(99dimethyl12341011hexahydrobenzo(c)pyrano(32g)chromen5(9H)ylidene)hydrazinyl)3oxopropyl)4methylbenzenesulfonamide
1014405334
CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NN=C2C3=C(CCCC3)C4=CC5=C(C=C4O2)OC(CC5)(C)C
InChI=1SC28H33N3O5Sc11881020(11918)37(3334)29151326(32)30312722754621(22)231619121428(23)3624(19)1725(23)3527h811161729H471215H213H3(H3032)b3127
MFCD09848232
N((Z)(99dimethyl12341011hexahydroisochromeno(43g)chromen5ylidene)amino)3((4methylphenyl)sulfonylamino)propanamide
N(3((2Z)2(99dimethyl12341011hexahydro5H9Hbenzo(c)pyrano(32g)chromen5ylidene)hydrazinyl)3oxopropyl)4methylbenzenesulfonamide(nonpreferredname)
O=C(NN=c1oc2cc3OC(C)(C)CCc3cc2c2c1CCCC2)CCNS(=O)(=O)c1ccc(cc1)C
ZINC000008991915

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Available files

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