Vitas-M small molecule compound

4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-[4-(morpholin-4-ylsulfonyl)phenyl]piperazine-1-carbothioamide

Catalog ID
STK464070
SMILES S=C(N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])Nc1ccc(cc1)S(=O)(=O)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 C24H24ClN5O6S3 MW 610.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24ClN5O6S3/c25-21-19-6-3-17(30(32)33)15-20(19)38-22(21)23(31)27-7-9-28(10-8-27)24(37)26-16-1-4-18(5-2-16)39(34,35)29-11-13-36-14-12-29/h1-6,15H,7-14H2,(H,26,37)
InChIKey
KOHROMJZLPYXAY-UHFFFAOYSA-N
Synonyms

3CHLORO6NITROBENZO(B)THIOPHEN2YL4(((4(MORPHOLIN4YLSULFONYL)PHENYL)AMINO)THIOXOMETHYL)PIPERAZINYLKETONE
4((3chloro6nitro1benzothiophen2yl)carbonyl)N(4(morpholin4ylsulfonyl)phenyl)piperazine1carbothioamide
4(3chloro6nitro1benzothiophene2carbonyl)N(4morpholin4ylsulfonylphenyl)piperazine1carbothioamide
C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)(N+)(=O)(O))Cl)C(=S)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5
InChI=1SC24H24ClN5O6S3c2521196317(30(32)33)1520(19)3822(21)23(31)277928(10827)24(37)26161418(5216)39(3435)29111336141229h1615H714H2(H2637)
MFCD06757802
S=C(N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O))Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
ZINC000097948881
ZINC97948881

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Available files

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