Vitas-M small molecule compound
7-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Catalog ID
STK712860
SMILES CCCc1nn2c(s1)nc(cc2=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])Cl
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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/c1-2-3-16-21-24-17(26)11-15(20-18(24)29-16)23-8-6-22(7-9-23)13-5-4-12(19)10-14(13)25(27)28/h4-5,10-11H,2-3,6-9H2,1H3InChIKey
NZIXXMWHOYQNIT-UHFFFAOYSA-NSynonyms
7(4(4CHLORO2NITROPHENYL)PIPERAZIN1YL)2PROPYL(134)THIADIAZOLO(32A)PYRIMIDIN5ONE
7(4(4chloro2nitrophenyl)piperazin1yl)2propyl5H(134)thiadiazolo(32a)pyrimidin5one
CCCC1=NN2C(=O)C=C(N=C2S1)N3CCN(CC3)C4=C(C=C(C=C4)Cl)(N+)(=O)(O)
CCCc1nn2c(s1)nc(cc2=O)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))Cl
InChI=1SC18H19ClN6O3Sc12316212417(26)1115(2018(24)2916)238622(7923)135412(19)1014(13)25(27)28h451011H2369H21H3
MFCD03941627
ZINC000005946911
ZINC5946911
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