Vitas-M small molecule compound

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

Catalog ID
STK712861
SMILES Clc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)c1cc(=O)n2c(n1)sc(n2)C(C)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)17-21-24-16(26)10-15(20-18(24)29-17)23-7-5-22(6-8-23)13-4-3-12(19)9-14(13)25(27)28/h3-4,9-11H,5-8H2,1-2H3
InChIKey
BDVHTXAJCZNAHG-UHFFFAOYSA-N
Synonyms

7(4(4chloro2nitrophenyl)piperazin1yl)2(propan2yl)5H(134)thiadiazolo(32a)pyrimidin5one
7(4(4CHLORO2NITROPHENYL)PIPERAZIN1YL)2PROPAN2YL(134)THIADIAZOLO(32A)PYRIMIDIN5ONE
CC(C)C1=NN2C(=O)C=C(N=C2S1)N3CCN(CC3)C4=C(C=C(C=C4)Cl)(N+)(=O)(O)
Clc1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)c1cc(=O)n2c(n1)sc(n2)C(C)C
InChI=1SC18H19ClN6O3Sc111(2)17212416(26)1015(2018(24)2917)237522(6823)134312(19)914(13)25(27)28h34911H58H212H3
MFCD03941628
ZINC000005945216
ZINC5945216

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Available files

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