Vitas-M small molecule compound
2-butyl-7-(4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Catalog ID
STK523804
SMILES CCCCc1nn2c(s1)nc(cc2=O)N1CCN(CC1)c1ccc(c(c1)NCCc1ccccc1)[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 C27H31N7O3S MW 533.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N7O3S/c1-2-3-9-25-30-33-26(35)19-24(29-27(33)38-25)32-16-14-31(15-17-32)21-10-11-23(34(36)37)22(18-21)28-13-12-20-7-5-4-6-8-20/h4-8,10-11,18-19,28H,2-3,9,12-17H2,1H3InChIKey
WAFIRPGTMPFMBL-UHFFFAOYSA-NSynonyms
2butyl7(4(4nitro3((2phenylethyl)amino)phenyl)piperazin1yl)5H(134)thiadiazolo(32a)pyrimidin5one
2butyl7(4(4nitro3(2phenylethylamino)phenyl)piperazin1yl)(134)thiadiazolo(32a)pyrimidin5one
2BUTYL7(4(4NITRO3(PHENETHYLAMINO)PHENYL)PIPERAZIN1YL)(134)THIADIAZOLO(32A)PYRIMIDIN5ONE
CCCCC1=NN2C(=O)C=C(N=C2S1)N3CCN(CC3)C4=CC(=C(C=C4)(N+)(=O)(O))NCCC5=CC=CC=C5
CCCCc1nn2c(s1)nc(cc2=O)N1CCN(CC1)c1ccc(c(c1)NCCc1ccccc1)(N+)(=O)(O)
InChI=1SC27H31N7O3Sc123925303326(35)1924(2927(33)3825)32161431(151732)21101123(34(36)37)22(1821)281312207546820h481011181928H2391217H21H3
MFCD03941643
ZINC000005946675
ZINC5946675
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