Vitas-M small molecule compound
2,2'-ethyne-1,2-diylbis[5-({4-[(2-hydroxyethyl)amino]-6-(4-methylphenoxy)-1,3,5-triazin-2-yl}amino)benzenesulfonate]
Catalog ID
STK369165
SMILES OCCNc1nc(Nc2ccc(c(c2)S(=O)(=O)[O-])C#Cc2ccc(cc2S(=O)(=O)[O-])Nc2nc(NCCO)nc(n2)Oc2ccc(cc2)C)nc(n1)Oc1ccc(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 C38H34N10O10S2 MW 854.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H36N10O10S2/c1-23-3-13-29(14-4-23)57-37-45-33(39-17-19-49)43-35(47-37)41-27-11-9-25(31(21-27)59(51,52)53)7-8-26-10-12-28(22-32(26)60(54,55)56)42-36-44-34(40-18-20-50)46-38(48-36)58-30-15-5-24(2)6-16-30/h3-6,9-16,21-22,49-50H,17-20H2,1-2H3,(H,5InChIKey
CKJHXBXHIILWFD-UHFFFAOYSA-LSynonyms
22ethyne12diylbis(5((4((2hydroxyethyl)amino)6(4methylphenoxy)135triazin2yl)amino)benzenesulfonate)
5((4(2HYDROXYETHYLAMINO)6(4METHYLPHENOXY)135TRIAZIN2YL)AMINO)2(2(4((4(2HYDROXYETHYLAMINO)6(4METHYLPHENOXY)135TRIAZIN2YL)AMINO)2SULFONATOPHENYL)ETHYNYL)BENZENESULFONATE
CC1=CC=C(C=C1)OC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)C#CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)OC6=CC=C(C=C6)C)NCCO)S(=O)(=O)(O))S(=O)(=O)(O)
InChI=1SC38H36N10O10S2c12331329(14423)57374533(39171949)4335(4737)412711925(31(2127)59(5152)53)7826101228(2232(26)60(5455)56)42364434(40182050)4638(4836)583015524(2)61630h3691621224950H1720H212H3(H515253)(H545556)(H23941434547)(H24042444648)p2
MFCD00301880
OCCNc1nc(Nc2ccc(c(c2)S(=O)(=O)(O))C#Cc2ccc(cc2S(=O)(=O)(O))Nc2nc(NCCO)nc(n2)Oc2ccc(cc2)C)nc(n1)Oc1ccc(cc1)C
ZINC000195796891
Check stock
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