Vitas-M small molecule compound
2-({2-nitro-4-[(E)-(2-{4-nitro-2-[(4-phenylpiperidin-1-yl)sulfonyl]phenyl}hydrazinylidene)methyl]phenyl}sulfanyl)-1,3-benzothiazole
Catalog ID
STK676446
SMILES [O-][N+](=O)c1ccc(c(c1)S(=O)(=O)N1CCC(CC1)c1ccccc1)N/N=C/c1ccc(c(c1)[N+](=O)[O-])Sc1nc2c(s1)cccc2
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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 C31H26N6O6S3 MW 674.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N6O6S3/c38-36(39)24-11-12-26(30(19-24)46(42,43)35-16-14-23(15-17-35)22-6-2-1-3-7-22)34-32-20-21-10-13-29(27(18-21)37(40)41)45-31-33-25-8-4-5-9-28(25)44-31/h1-13,18-20,23,34H,14-17H2/b32-20+InChIKey
YUWXBJBTLMJOCC-UZWMFBFFSA-NSynonyms
(O)(N+)(=O)c1ccc(c(c1)S(=O)(=O)N1CCC(CC1)c1ccccc1)NN=Cc1ccc(c(c1)(N+)(=O)(O))Sc1nc2c(s1)cccc2
2((2nitro4((E)(2(4nitro2((4phenylpiperidin1yl)sulfonyl)phenyl)hydrazinylidene)methyl)phenyl)sulfanyl)13benzothiazole
C1CN(CCC1C2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)(N+)(=O)(O))NN=CC4=CC(=C(C=C4)SC5=NC6=CC=CC=C6S5)(N+)(=O)(O)
InChI=1SC31H26N6O6S3c3836(39)24111226(30(1924)46(4243)35161423(151735)226213722)34322021101329(27(1821)37(40)41)45313325845928(25)4431h11318202334H1417H2b3220+
MFCD01626932
N((E)(4(13benzothiazol2ylsulfanyl)3nitrophenyl)methylideneamino)4nitro2(4phenylpiperidin1yl)sulfonylaniline
ZINC000033354335
ZINC150385125
Check stock
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Check stock on Vitas-MAvailable files
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