Vitas-M small molecule compound
ethyl 4-[({4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}carbonyl)amino]benzoate
Catalog ID
STK459911
SMILES CCOC(=O)c1ccc(cc1)NC(=O)N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-]
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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 C23H21ClN4O6S MW 516.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN4O6S/c1-2-34-22(30)14-3-5-15(6-4-14)25-23(31)27-11-9-26(10-12-27)21(29)20-19(24)17-8-7-16(28(32)33)13-18(17)35-20/h3-8,13H,2,9-12H2,1H3,(H,25,31)InChIKey
AEIUOGYFCPTCJY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)(N+)(=O)(O))Cl
CCOC(=O)c1ccc(cc1)NC(=O)N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O)
ethyl4(((4((3chloro6nitro1benzothiophen2yl)carbonyl)piperazin1yl)carbonyl)amino)benzoate
ETHYL4((4((3CHLORO6NITROBENZO(B)THIOPHEN2YL)CARBONYL)PIPERAZINYL)CARBONYLAMINO)BENZOATE
ETHYL4((4(3CHLORO6NITRO1BENZOTHIOPHENE2CARBONYL)PIPERAZINE1CARBONYL)AMINO)BENZOATE
InChI=1SC23H21ClN4O6Sc123422(30)143515(6414)2523(31)2711926(101227)21(29)2019(24)178716(28(32)33)1318(17)3520h3813H2912H21H3(H2531)
MFCD04137279
ZINC000016346132
ZINC16346132
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