Vitas-M small molecule compound

7-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Catalog ID
STK712864
SMILES CC(c1sc2n(n1)c(=O)cc(n2)N1CCN(CC1)c1c(Cl)cccc1[N+](=O)[O-])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 C18H19ClN6O3S MW 434.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN6O3S/c1-11(2)17-21-24-15(26)10-14(20-18(24)29-17)22-6-8-23(9-7-22)16-12(19)4-3-5-13(16)25(27)28/h3-5,10-11H,6-9H2,1-2H3
InChIKey
VMCJFJKPMJRAIG-UHFFFAOYSA-N
Synonyms

7(4(2chloro6nitrophenyl)piperazin1yl)2(propan2yl)5H(134)thiadiazolo(32a)pyrimidin5one
7(4(2CHLORO6NITROPHENYL)PIPERAZIN1YL)2PROPAN2YL(134)THIADIAZOLO(32A)PYRIMIDIN5ONE
CC(C)C1=NN2C(=O)C=C(N=C2S1)N3CCN(CC3)C4=C(C=CC=C4Cl)(N+)(=O)(O)
CC(c1sc2n(n1)c(=O)cc(n2)N1CCN(CC1)c1c(Cl)cccc1(N+)(=O)(O))C
InChI=1SC18H19ClN6O3Sc111(2)17212415(26)1014(2018(24)2917)226823(9722)1612(19)43513(16)25(27)28h351011H69H212H3
MFCD03941631
ZINC000005945208
ZINC5945208

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Available files

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