Vitas-M small molecule compound

(5Z)-1-(4-chlorophenyl)-5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK175180
SMILES Clc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cc(n(c2c2ccccc2)c2ccc(cc2)[N+](=O)[O-])c2ccccc2)/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 C33H21ClN4O5 MW 589.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H21ClN4O5/c34-24-11-13-26(14-12-24)37-32(40)28(31(39)35-33(37)41)19-23-20-29(21-7-3-1-4-8-21)36(30(23)22-9-5-2-6-10-22)25-15-17-27(18-16-25)38(42)43/h1-20H,(H,35,39,41)/b28-19-
InChIKey
XKLKEMUORVQLJW-USHMODERSA-N
Synonyms

(5Z)1(4CHLOROPHENYL)5((1(4NITROPHENYL)25DIPHENYL1HPYRROL3YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5Z)1(4CHLOROPHENYL)5((1(4NITROPHENYL)25DIPHENYLPYRROL3YL)METHYLIDENE)13DIAZINANE246TRIONE
C1=CC=C(C=C1)C2=CC(=C(N2C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4)C=C5C(=O)NC(=O)N(C5=O)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(n(c2c2ccccc2)c2ccc(cc2)(N+)(=O)(O))c2ccccc2)C1=O
InChI=1SC33H21ClN4O5c3424111326(141224)3732(40)28(31(39)3533(37)41)19232029(217314821)36(30(23)2295261022)25151727(181625)38(42)43h120H(H353941)b2819
MFCD01610430
ZINC000100192788
ZINC100192788

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Available files

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