Vitas-M small molecule compound
(5Z)-3-(3-chloro-4-methylphenyl)-6-hydroxy-5-{[1-(4-nitrobenzyl)-1H-indol-3-yl]methylidene}pyrimidine-2,4(3H,5H)-dione
Catalog ID
STL046541
SMILES O=C1N=C(O)/C(=C/c2cn(c3c2cccc3)Cc2ccc(cc2)[N+](=O)[O-])/C(=O)N1c1ccc(c(c1)Cl)C
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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 C27H19ClN4O5 MW 514.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19ClN4O5/c1-16-6-9-20(13-23(16)28)31-26(34)22(25(33)29-27(31)35)12-18-15-30(24-5-3-2-4-21(18)24)14-17-7-10-19(11-8-17)32(36)37/h2-13,15H,14H2,1H3,(H,29,33,35)/b22-12-InChIKey
ICKRMWPXAJNLDE-UUYOSTAYSA-NSynonyms
673441-49-1(5Z)1(3CHLORO4METHYLPHENYL)5((1((4NITROPHENYL)METHYL)INDOL3YL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)3(3chloro4methylphenyl)6hydroxy5((1(4nitrobenzyl)1Hindol3yl)methylidene)pyrimidine24(3H5H)dione
673441491
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)(N+)(=O)(O))C(=O)NC2=O)Cl
InChI=1SC27H19ClN4O5c1166920(1323(16)28)3126(34)22(25(33)2927(31)35)12181530(24532421(18)24)141771019(11817)32(36)37h21315H14H21H3(H293335)b2212
MFCD04071701
O=C1N=C(O)C(=Cc2cn(c3c2cccc3)Cc2ccc(cc2)(N+)(=O)(O))C(=O)N1c1ccc(c(c1)Cl)C
ZINC000009453556
ZINC9453556
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