Vitas-M small molecule compound

(1S,5S)-3-{2-[(4-tert-butylphenyl)sulfonyl]ethyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

Catalog ID
STL526256
SMILES O=c1cccc2n1C[C@H]1CN(C[C@@H]2C1)CCS(=O)(=O)c1ccc(cc1)C(C)(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 C23H30N2O3S MW 414.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N2O3S/c1-23(2,3)19-7-9-20(10-8-19)29(27,28)12-11-24-14-17-13-18(16-24)21-5-4-6-22(26)25(21)15-17/h4-10,17-18H,11-16H2,1-3H3/t17-,18-/m0/s1
InChIKey
RJIHDTYNHTXHGB-ROUUACIJSA-N
Synonyms

(1~(S)9~(S))11(2(4~(tert)butylphenyl)sulfonylethyl)711diazatricyclo(7310^(27))trideca24dien6one
(1R5S)3(2((4(tertbutyl)phenyl)sulfonyl)ethyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)onehydrochloride
(1S5S)3(2((4tertbutylphenyl)sulfonyl)ethyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
1426533
InChI=1SC23H30N2O3Sc123(23)197920(10819)29(2728)12112414171318(1624)2154622(26)25(21)1517h4101718H1116H213H3t1718m0s1
MFCD02925482
O=c1cccc2n1C(C@@H)1CN(C(C@H)2C1)CCS(=O)(=O)c1ccc(cc1)C(C)(C)CCl
ZINC000001321335
ZINC1321335

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Available files

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