Vitas-M small molecule compound

N-(4-butylphenyl)-2-[2-(4-ethylpiperazin-1-yl)-7-oxo[1,3]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamide

Catalog ID
STL093021
SMILES CCCCc1ccc(cc1)NC(=O)Cn1cnc2c(c1=O)sc(n2)N1CCN(CC1)CC

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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 C23H30N6O2S MW 454.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N6O2S/c1-3-5-6-17-7-9-18(10-8-17)25-19(30)15-29-16-24-21-20(22(29)31)32-23(26-21)28-13-11-27(4-2)12-14-28/h7-10,16H,3-6,11-15H2,1-2H3,(H,25,30)
InChIKey
LHZGGRXVNRQVMB-UHFFFAOYSA-N
Synonyms

CCCCC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)SC(=N3)N4CCN(CC4)CC
InChI=1SC23H30N6O2Sc1356177918(10817)2519(30)152916242120(22(29)31)3223(2621)28131127(42)121428h71016H361115H212H3(H2530)
MFCD18787185
N(4butylphenyl)2(2(4ethylpiperazin1yl)7oxo(13)thiazolo(45d)pyrimidin6(7H)yl)acetamide
N(4butylphenyl)2(2(4ethylpiperazin1yl)7oxo(13)thiazolo(45d)pyrimidin6yl)acetamide
ZINC000067225977
ZINC67225977

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.