Vitas-M small molecule compound

(5Z)-1-(2-fluorophenyl)-5-{[1-(4-nitrobenzyl)-1H-indol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK021735
SMILES O=C1NC(=S)N(C(=O)/C/1=C\c1cn(c2c1cccc2)Cc1ccc(cc1)[N+](=O)[O-])c1ccccc1F

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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 C26H17FN4O4S MW 500.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17FN4O4S/c27-21-6-2-4-8-23(21)30-25(33)20(24(32)28-26(30)36)13-17-15-29(22-7-3-1-5-19(17)22)14-16-9-11-18(12-10-16)31(34)35/h1-13,15H,14H2,(H,28,32,36)/b20-13-
InChIKey
PTEARRHSYQQEHF-MOSHPQCFSA-N
Synonyms

(5Z)1(2fluorophenyl)5((1((4nitrophenyl)methyl)indol3yl)methylidene)2sulfanylidene13diazinane46dione
(5Z)1(2FLUOROPHENYL)5((1(4NITROBENZYL)1HINDOL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)(N+)(=O)(O))C=C4C(=O)NC(=S)N(C4=O)C5=CC=CC=C5F
InChI=1SC26H17FN4O4Sc2721624823(21)3025(33)20(24(32)2826(30)36)13171529(22731519(17)22)141691118(121016)31(34)35h11315H14H2(H283236)b2013
MFCD04547236
O=C1NC(=S)N(C(=O)C1=Cc1cn(c2c1cccc2)Cc1ccc(cc1)(N+)(=O)(O))c1ccccc1F
STK021735
ZINC000008986556
ZINC8986556

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Available files

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