Vitas-M small molecule compound
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-{4-[(3-nitrophenyl)sulfonyl]piperazin-1-yl}aniline
Catalog ID
STK390666
SMILES COc1cc(CCNc2cc(ccc2[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)c2cccc(c2)[N+](=O)[O-])ccc1OC
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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 C26H29N5O8S MW 571.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O8S/c1-38-25-9-6-19(16-26(25)39-2)10-11-27-23-18-20(7-8-24(23)31(34)35)28-12-14-29(15-13-28)40(36,37)22-5-3-4-21(17-22)30(32)33/h3-9,16-18,27H,10-15H2,1-2H3InChIKey
ZLDCPRHREMWQAS-UHFFFAOYSA-NSynonyms
1((4(3((2(34DIMETHOXYPHENYL)ETHYL)AMINO)4NITROPHENYL)PIPERAZINYL)SULFONYL)3NITROBENZENE
COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)(N+)(=O)(O))(N+)(=O)(O))OC
COc1cc(CCNc2cc(ccc2(N+)(=O)(O))N2CCN(CC2)S(=O)(=O)c2cccc(c2)(N+)(=O)(O))ccc1OC
InChI=1SC26H29N5O8Sc138259619(1626(25)392)101127231820(7824(23)31(34)35)28121429(151328)40(3637)2253421(1722)30(32)33h39161827H1015H212H3
MFCD02187778
N(2(34dimethoxyphenyl)ethyl)2nitro5(4((3nitrophenyl)sulfonyl)piperazin1yl)aniline
N(2(34DIMETHOXYPHENYL)ETHYL)2NITRO5(4(3NITROPHENYL)SULFONYLPIPERAZIN1YL)ANILINE
ZINC000004083468
ZINC4083468
Check stock
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Check stock on Vitas-MAvailable files
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