Vitas-M small molecule compound
ethyl 2-({[2-(4-ethylpiperazin-1-yl)-5-nitrophenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK525956
SMILES CCOC(=O)c1c(NC(=O)c2cc(ccc2N2CCN(CC2)CC)[N+](=O)[O-])sc2c1CCCC2
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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 C24H30N4O5S MW 486.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N4O5S/c1-3-26-11-13-27(14-12-26)19-10-9-16(28(31)32)15-18(19)22(29)25-23-21(24(30)33-4-2)17-7-5-6-8-20(17)34-23/h9-10,15H,3-8,11-14H2,1-2H3,(H,25,29)InChIKey
BXQRZEJSYRTELI-UHFFFAOYSA-NSynonyms
332168-80-6332168806
CCN1CCN(CC1)C2=C(C=C(C=C2)(N+)(=O)(O))C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC
CCOC(=O)c1c(NC(=O)c2cc(ccc2N2CCN(CC2)CC)(N+)(=O)(O))sc2c1CCCC2
ethyl2(((2(4ethylpiperazin1yl)5nitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(4ethylpiperazin1yl)5nitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2(4ethylpiperazin1yl)5nitrobenzamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC24H30N4O5Sc1326111327(141226)1910916(28(31)32)1518(19)22(29)252321(24(30)3342)17756820(17)3423h91015H381114H212H3(H2529)
MFCD01829858
ZINC000009082868
ZINC9082868
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