Vitas-M small molecule compound
1,5-dimethyl-2-[4-({4-[4-(morpholin-4-ylcarbonyl)-2-nitrophenyl]piperazin-1-yl}sulfonyl)phenyl]-4-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STK664928
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccc(cc1)n1n(C)c(c(c1=O)C(C)C)C)N1CCOCC1
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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 C29H36N6O7S MW 612.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N6O7S/c1-20(2)27-21(3)30(4)34(29(27)37)23-6-8-24(9-7-23)43(40,41)33-13-11-31(12-14-33)25-10-5-22(19-26(25)35(38)39)28(36)32-15-17-42-18-16-32/h5-10,19-20H,11-18H2,1-4H3InChIKey
RZPBEPNOHRTGDS-UHFFFAOYSA-NSynonyms
15dimethyl2(4((4(4(morpholin4ylcarbonyl)2nitrophenyl)piperazin1yl)sulfonyl)phenyl)4(propan2yl)12dihydro3Hpyrazol3one
15DIMETHYL2(4(4(4(MORPHOLINE4CARBONYL)2NITROPHENYL)PIPERAZIN1YL)SULFONYLPHENYL)4PROPAN2YLPYRAZOL3ONE
CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(=O)N5CCOCC5)(N+)(=O)(O))C(C)C
InChI=1SC29H36N6O7Sc120(2)2721(3)30(4)34(29(27)37)236824(9723)43(4041)33131131(121433)2510522(1926(25)35(38)39)28(36)32151742181632h5101920H1118H214H3
MFCD07658266
O=C(c1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)S(=O)(=O)c1ccc(cc1)n1n(C)c(c(c1=O)C(C)C)C)N1CCOCC1
ZINC000098009019
ZINC98009019
Check stock
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Check stock on Vitas-MAvailable files
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