Vitas-M small molecule compound
4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide
Catalog ID
STK446833
SMILES S=C(N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])Nc1ccc2c(c1)OCCO2
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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 C22H19ClN4O5S2 MW 519.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN4O5S2/c23-19-15-3-2-14(27(29)30)12-18(15)34-20(19)21(28)25-5-7-26(8-6-25)22(33)24-13-1-4-16-17(11-13)32-10-9-31-16/h1-4,11-12H,5-10H2,(H,24,33)InChIKey
MICFJSFFXXVIJP-UHFFFAOYSA-NSynonyms
4((2H3HBENZO(34E)14DIOXIN6YLAMINO)THIOXOMETHYL)PIPERAZINYL3CHLORO6NITROBENZO(B)THIOPHEN2YLKETONE
4((3chloro6nitro1benzothiophen2yl)carbonyl)N(23dihydro14benzodioxin6yl)piperazine1carbothioamide
4(3chloro6nitro1benzothiophene2carbonyl)N(23dihydro14benzodioxin6yl)piperazine1carbothioamide
C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)(N+)(=O)(O))Cl)C(=S)NC4=CC5=C(C=C4)OCCO5
InChI=1SC22H19ClN4O5S2c2319153214(27(29)30)1218(15)3420(19)21(28)255726(8625)22(33)2413141617(1113)321093116h141112H510H2(H2433)
MFCD04059433
S=C(N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O))Nc1ccc2c(c1)OCCO2
ZINC000020494146
ZINC20494146
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