Vitas-M small molecule compound
3-butoxy-N-({4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}carbonothioyl)benzamide
Catalog ID
STK355514
SMILES CCCCOc1cccc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)[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 C27H35N5O4S MW 525.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N5O4S/c1-2-3-18-36-23-9-7-8-21(19-23)26(33)28-27(37)31-16-14-29(15-17-31)22-10-11-24(32(34)35)25(20-22)30-12-5-4-6-13-30/h7-11,19-20H,2-6,12-18H2,1H3,(H,28,33,37)InChIKey
GMMBYWQVCXBNIT-UHFFFAOYSA-NSynonyms
3butoxyN((4(4nitro3(piperidin1yl)phenyl)piperazin1yl)carbonothioyl)benzamide
3butoxyN(4(4nitro3piperidin1ylphenyl)piperazine1carbothioyl)benzamide
CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCCCC4
CCCCOc1cccc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)(N+)(=O)(O)
InChI=1SC27H35N5O4Sc12318362397821(1923)26(33)2827(37)31161429(151731)22101124(32(34)35)25(2022)30125461330h7111920H261218H21H3(H283337)
MFCD07144774
ZINC000016639313
ZINC16639313
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