Vitas-M small molecule compound

7-(4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazin-1-yl)-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Catalog ID
STK712872
SMILES CCCc1nn2c(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 C26H29N7O3S MW 519.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N7O3S/c1-2-6-24-29-32-25(34)18-23(28-26(32)37-24)31-15-13-30(14-16-31)20-9-10-22(33(35)36)21(17-20)27-12-11-19-7-4-3-5-8-19/h3-5,7-10,17-18,27H,2,6,11-16H2,1H3
InChIKey
XRCYVVVIJKXBNH-UHFFFAOYSA-N
Synonyms

7(4(4nitro3((2phenylethyl)amino)phenyl)piperazin1yl)2propyl5H(134)thiadiazolo(32a)pyrimidin5one
7(4(4nitro3(2phenylethylamino)phenyl)piperazin1yl)2propyl(134)thiadiazolo(32a)pyrimidin5one
7(4(4NITRO3(PHENETHYLAMINO)PHENYL)PIPERAZIN1YL)2PROPYL(134)THIADIAZOLO(32A)PYRIMIDIN5ONE
CCCC1=NN2C(=O)C=C(N=C2S1)N3CCN(CC3)C4=CC(=C(C=C4)(N+)(=O)(O))NCCC5=CC=CC=C5
CCCc1nn2c(s1)nc(cc2=O)N1CCN(CC1)c1ccc(c(c1)NCCc1ccccc1)(N+)(=O)(O)
InChI=1SC26H29N7O3Sc12624293225(34)1823(2826(32)3724)31151330(141631)2091022(33(35)36)21(1720)271211197435819h35710171827H261116H21H3
MFCD03941642
ZINC000005946907
ZINC5946907

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Available files

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