Vitas-M small molecule compound
2-butyl-7-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Catalog ID
STK712859
SMILES CCCCc1nn2c(s1)nc(cc2=O)N1CCN(CC1)c1ccc(cc1Cl)[N+](=O)[O-]
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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 C19H21ClN6O3S MW 448.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN6O3S/c1-2-3-4-17-22-25-18(27)12-16(21-19(25)30-17)24-9-7-23(8-10-24)15-6-5-13(26(28)29)11-14(15)20/h5-6,11-12H,2-4,7-10H2,1H3InChIKey
JQCVSCWLIXKBHK-UHFFFAOYSA-NSynonyms
650593-10-52BUTYL7(4(2CHLORO4NITROPHENYL)PIPERAZIN1YL)(134)THIADIAZOLO(32A)PYRIMIDIN5ONE
2butyl7(4(2chloro4nitrophenyl)piperazin1yl)5H(134)thiadiazolo(32a)pyrimidin5one
650593105
CCCCC1=NN2C(=O)C=C(N=C2S1)N3CCN(CC3)C4=C(C=C(C=C4)(N+)(=O)(O))Cl
CCCCc1nn2c(s1)nc(cc2=O)N1CCN(CC1)c1ccc(cc1Cl)(N+)(=O)(O)
InChI=1SC19H21ClN6O3Sc123417222518(27)1216(2119(25)3017)249723(81024)156513(26(28)29)1114(15)20h561112H24710H21H3
MFCD03941626
ZINC000005946683
ZINC5946683
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