Vitas-M small molecule compound
[(4-{5,11-bis[(4-methylphenyl)sulfonyl]-5,6,11,12-tetrahydro-6,12-epiminodibenzo[b,f][1,5]diazocin-13-yl}phenyl)sulfanyl]acetic acid
Catalog ID
STL446152
SMILES OC(=O)CSc1ccc(cc1)N1C2c3ccccc3N(C1c1c(N2S(=O)(=O)c2ccc(cc2)C)cccc1)S(=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 C36H31N3O6S3 MW 697.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H31N3O6S3/c1-24-11-19-28(20-12-24)47(42,43)38-32-9-5-3-7-30(32)36-37(26-15-17-27(18-16-26)46-23-34(40)41)35(38)31-8-4-6-10-33(31)39(36)48(44,45)29-21-13-25(2)14-22-29/h3-22,35-36H,23H2,1-2H3,(H,40,41)InChIKey
LFYAXIZCYSPNER-UHFFFAOYSA-NSynonyms
((4(511bis((4methylphenyl)sulfonyl)561112tetrahydro612epiminodibenzo(bf)(15)diazocin13yl)phenyl)sulfanyl)aceticacid
CC1=CC=C(C=C1)S(=O)(=O)N2C3C4=CC=CC=C4N(C(N3C5=CC=C(C=C5)SCC(=O)O)C6=CC=CC=C62)S(=O)(=O)C7=CC=C(C=C7)C
InChI=1SC36H31N3O6S3c124111928(201224)47(4243)3832953730(32)3637(26151727(181626)462334(40)41)35(38)318461033(31)39(36)48(4445)29211325(2)142229h3223536H23H212H3(H4041)
MFCD02928543
ZINC000150343206
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