Vitas-M small molecule compound
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline
Catalog ID
STK148666
SMILES COc1cc(CCNc2cc(ccc2[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)c2ccccc2)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 C26H30N4O6S MW 526.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O6S/c1-35-25-11-8-20(18-26(25)36-2)12-13-27-23-19-21(9-10-24(23)30(31)32)28-14-16-29(17-15-28)37(33,34)22-6-4-3-5-7-22/h3-11,18-19,27H,12-17H2,1-2H3InChIKey
OBEVQNMIVJQBHG-UHFFFAOYSA-NSynonyms
5(4(BENZENESULFONYL)PIPERAZIN1YL)N(2(34DIMETHOXYPHENYL)ETHYL)2NITROANILINE
COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)(N+)(=O)(O))OC
COc1cc(CCNc2cc(ccc2(N+)(=O)(O))N2CCN(CC2)S(=O)(=O)c2ccccc2)ccc1OC
InChI=1SC26H30N4O6Sc1352511820(1826(25)362)121327231921(91024(23)30(31)32)28141629(171528)37(3334)226435722h311181927H1217H212H3
MFCD02086714
N(2(34DIMETHOXYPHENYL)ETHYL)2NITRO5(4(PHENYLSULFONYL)PIPERAZIN1YL)ANILINE
ZINC000009601700
ZINC09601700
ZINC9601700
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