Vitas-M small molecule compound
2-{4-[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]piperazin-1-yl}-6-nitro-1,3-benzothiazole
Catalog ID
STK115743
SMILES [O-][N+](=O)c1ccc2c(c1)sc(n2)N1CCN(CC1)c1nc(nc(n1)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 C22H27N9O4S MW 513.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N9O4S/c32-31(33)16-1-2-17-18(15-16)36-22(23-17)30-5-3-27(4-6-30)19-24-20(28-7-11-34-12-8-28)26-21(25-19)29-9-13-35-14-10-29/h1-2,15H,3-14H2InChIKey
QLJHMPJJLBLOJT-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc2c(c1)sc(n2)N1CCN(CC1)c1nc(nc(n1)N1CCOCC1)N1CCOCC1
2(4(46DI(MORPHOLIN4YL)135TRIAZIN2YL)PIPERAZIN1YL)6NITRO13BENZOTHIAZOLE
4(4MORPHOLIN4YL6(4(6NITRO13BENZOTHIAZOL2YL)PIPERAZIN1YL)135TRIAZIN2YL)MORPHOLINE
C1CN(CCN1C2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4)C5=NC6=C(S5)C=C(C=C6)(N+)(=O)(O)
InChI=1SC22H27N9O4Sc3231(33)16121718(1516)3622(2317)305327(4630)192420(287113412828)2621(2519)2991335141029h1215H314H2
MFCD02168805
ZINC000008438251
ZINC08438251
ZINC8438251
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