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}benzoic acid
Catalog ID
STL446153
SMILES Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2C2N(C1c1ccccc1N2S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C(=O)O
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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 C35H29N3O6S2 MW 651.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H29N3O6S2/c1-23-11-19-27(20-12-23)45(41,42)37-31-9-5-3-7-29(31)34-36(26-17-15-25(16-18-26)35(39)40)33(37)30-8-4-6-10-32(30)38(34)46(43,44)28-21-13-24(2)14-22-28/h3-22,33-34H,1-2H3,(H,39,40)InChIKey
CPKSEBNFFLKFEQ-UHFFFAOYSA-NSynonyms
4(511bis((4methylphenyl)sulfonyl)561112tetrahydro612epiminodibenzo(bf)(15)diazocin13yl)benzoicacid
CC1=CC=C(C=C1)S(=O)(=O)N2C3C4=CC=CC=C4N(C(N3C5=CC=C(C=C5)C(=O)O)C6=CC=CC=C62)S(=O)(=O)C7=CC=C(C=C7)C
InChI=1SC35H29N3O6S2c123111927(201223)45(4142)3731953729(31)3436(26171525(161826)35(39)40)33(37)308461032(30)38(34)46(4344)28211324(2)142228h3223334H12H3(H3940)
MFCD06243540
ZINC000150343210
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