Vitas-M small molecule compound

8-phenyl-7-thioxo-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,5(1H,3H)-dione

Catalog ID
STK691137
SMILES O=C1Nc2n(c3ccccc3)c(=S)[nH]c(=O)c2C(N1)(C(F)(F)F)C(F)(F)F

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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 C14H8F6N4O2S MW 410.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H8F6N4O2S/c15-13(16,17)12(14(18,19)20)7-8(21-10(26)23-12)24(11(27)22-9(7)25)6-4-2-1-3-5-6/h1-5H,(H2,21,23,26)(H,22,25,27)
InChIKey
QSUSNUODLVWIRW-UHFFFAOYSA-N
Synonyms

1phenyl2sulfanylidene55bis(trifluoromethyl)68dihydropyrimido(45d)pyrimidine47dione
8phenyl7thioxo44bis(trifluoromethyl)4678tetrahydropyrimido(45d)pyrimidine25(1H3H)dione
C1=CC=C(C=C1)N2C3=C(C(=O)NC2=S)C(NC(=O)N3)(C(F)(F)F)C(F)(F)F
InChI=1SC14H8F6N4O2Sc1513(1617)12(14(1819)20)78(2110(26)2312)24(11(27)229(7)25)6421356h15H(H2212326)(H222527)
MFCD09064160
O=C1Nc2n(c3ccccc3)c(=S)(nH)c(=O)c2C(N1)(C(F)(F)F)C(F)(F)F
ZINC000012377126
ZINC12377126

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Available files

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