Vitas-M small molecule compound
(5Z)-1-(4-chlorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK534714
SMILES Clc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cc3OCOc3cc2[N+](=O)[O-])/C1=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 C18H10ClN3O7 MW 415.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H10ClN3O7/c19-10-1-3-11(4-2-10)21-17(24)12(16(23)20-18(21)25)5-9-6-14-15(29-8-28-14)7-13(9)22(26)27/h1-7H,8H2,(H,20,23,25)/b12-5-InChIKey
YBJNGAQDMBWUPV-XGICHPGQSA-NSynonyms
355371-38-9(5Z)1(4CHLOROPHENYL)5((6NITRO13BENZODIOXOL5YL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)1(4chlorophenyl)5((6nitro13benzodioxol5yl)methylidene)pyrimidine246(1H3H5H)trione
(Z)1(4chlorophenyl)5((6nitrobenzo(d)(13)dioxol5yl)methylene)pyrimidine246(1H3H5H)trione
355371389
C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)(N+)(=O)(O)
Clc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc3OCOc3cc2(N+)(=O)(O))C1=O
InChI=1SC18H10ClN3O7c19101311(4210)2117(24)12(16(23)2018(21)25)5961415(2982814)713(9)22(26)27h17H8H2(H202325)b125
MFCD01655862
ZINC000009183473
ZINC9183473
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