Vitas-M small molecule compound
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-{4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperazin-1-yl}-2-nitroaniline
Catalog ID
STK381904
SMILES COc1ccc(cc1OC)CCNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)sc(n2)C
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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 C28H31N5O6S2 MW 597.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O6S2/c1-19-30-23-7-6-22(18-28(23)40-19)41(36,37)32-14-12-31(13-15-32)21-5-8-25(33(34)35)24(17-21)29-11-10-20-4-9-26(38-2)27(16-20)39-3/h4-9,16-18,29H,10-15H2,1-3H3InChIKey
UQNLHRLHSSRVHZ-UHFFFAOYSA-NSynonyms
6((4(3((2(34DIMETHOXYPHENYL)ETHYL)AMINO)4NITROPHENYL)PIPERAZINYL)SULFONYL)2METHYLBENZOTHIAZOLE
CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=C(C=C4)(N+)(=O)(O))NCCC5=CC(=C(C=C5)OC)OC
COc1ccc(cc1OC)CCNc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)sc(n2)C
InChI=1SC28H31N5O6S2c11930237622(1828(23)4019)41(3637)32141231(131532)215825(33(34)35)24(1721)291110204926(382)27(1620)393h49161829H1015H213H3
MFCD02604470
N(2(34dimethoxyphenyl)ethyl)5(4((2methyl13benzothiazol6yl)sulfonyl)piperazin1yl)2nitroaniline
ZINC000004091923
ZINC4091923
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