Vitas-M small molecule compound
1-[(6-{[(2Z)-4,6-di(morpholin-4-yl)-1,3,5-triazin-2(1H)-ylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one
Catalog ID
STL055970
SMILES CC(=O)CSc1nc2c(s1)cc(cc2)/N=c/1\nc(nc([nH]1)N1CCOCC1)N1CCOCC1
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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 C21H25N7O3S2 MW 487.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N7O3S2/c1-14(29)13-32-21-23-16-3-2-15(12-17(16)33-21)22-18-24-19(27-4-8-30-9-5-27)26-20(25-18)28-6-10-31-11-7-28/h2-3,12H,4-11,13H2,1H3,(H,22,24,25,26)InChIKey
WIIYFYLKSOQQID-UHFFFAOYSA-NSynonyms
362489-23-41((6(((2Z)46di(morpholin4yl)135triazin2(1H)ylidene)amino)13benzothiazol2yl)sulfanyl)propan2one
1((6((46DIMORPHOLIN4YL135TRIAZIN2YL)AMINO)13BENZOTHIAZOL2YL)SULFANYL)PROPAN2ONE
1(6((46DIMORPHOLIN4YL135TRIAZIN2YL)AMINO)BENZOTHIAZOL2YLTHIO)ACETONE
362489234
CC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5
CC(=O)CSc1nc2c(s1)cc(cc2)N=c1nc(nc((nH)1)N1CCOCC1)N1CCOCC1
InChI=1SC21H25N7O3S2c114(29)13322123163215(1217(16)3321)22182419(2748309527)2620(2518)286103111728h2312H41113H21H3(H22242526)
MFCD05729042
ZINC000002189332
ZINC02189332
ZINC2189332
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