Vitas-M small molecule compound
2,2'-[1,4-diazepane-1,4-diylbis(sulfonylbenzene-4,1-diyl)]bisdihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1,3(2H)-dione
Catalog ID
STK665264
SMILES O=c1n2CCCn2c(=O)n1c1ccc(cc1)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)c1ccc(cc1)n1c(=O)n2n(c1=O)CCC2
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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 C27H30N8O8S2 MW 658.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N8O8S2/c36-24-30-14-2-15-31(30)25(37)34(24)20-4-8-22(9-5-20)44(40,41)28-12-1-13-29(19-18-28)45(42,43)23-10-6-21(7-11-23)35-26(38)32-16-3-17-33(32)27(35)39/h4-11H,1-3,12-19H2InChIKey
JUEBIXRXCKAQQD-UHFFFAOYSA-NSynonyms
2(4((4(4(13dioxo67dihydro5Hpyrazolo(12a)(124)triazol2yl)phenyl)sulfonyl14diazepan1yl)sulfonyl)phenyl)67dihydro5Hpyrazolo(12a)(124)triazole13dione
22(14diazepane14diylbis(sulfonylbenzene41diyl))bisdihydro1H5Hpyrazolo(12a)(124)triazole13(2H)dione
C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)N4CCCN4C3=O)S(=O)(=O)C5=CC=C(C=C5)N6C(=O)N7CCCN7C6=O
InChI=1SC27H30N8O8S2c3624301421531(30)25(37)34(24)204822(9520)44(4041)281211329(191828)45(4243)2310621(71123)3526(38)321631733(32)27(35)39h411H131219H2
MFCD08142713
ZINC000098048351
ZINC98048351
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