Vitas-M small molecule compound
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]aniline
Catalog ID
STK036940
SMILES COc1cc(CCNc2cc(ccc2[N+](=O)[O-])N2CCN(CC2)c2nc3c(s2)cc(cc3)[N+](=O)[O-])ccc1OC
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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 C27H28N6O6S MW 564.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N6O6S/c1-38-24-8-3-18(15-25(24)39-2)9-10-28-22-16-19(5-7-23(22)33(36)37)30-11-13-31(14-12-30)27-29-21-6-4-20(32(34)35)17-26(21)40-27/h3-8,15-17,28H,9-14H2,1-2H3InChIKey
BTDKTRCBFJBHMB-UHFFFAOYSA-NSynonyms
(2(34DIMETHOXYPHENYL)ETHYL)(2NITRO5(4(6NITROBENZOTHIAZOL2YL)PIPERAZINYL)PHENYL)AMINE
COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)(N+)(=O)(O))(N+)(=O)(O))OC
COc1cc(CCNc2cc(ccc2(N+)(=O)(O))N2CCN(CC2)c2nc3c(s2)cc(cc3)(N+)(=O)(O))ccc1OC
InChI=1SC27H28N6O6Sc138248318(1525(24)392)91028221619(5723(22)33(36)37)30111331(141230)2729216420(32(34)35)1726(21)4027h38151728H914H212H3
MFCD02627846
N(2(34DIMETHOXYPHENYL)ETHYL)2NITRO5(4(6NITRO13BENZOTHIAZOL2YL)PIPERAZIN1YL)ANILINE
N(34dimethoxyphenethyl)2nitro5(4(6nitrobenzo(d)thiazol2yl)piperazin1yl)aniline
STK036940
ZINC000100104695
ZINC100104695
Check stock
See real-time availability and sample size for STK036940 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.