Vitas-M small molecule compound

(4Z)-4-[({2-[3-(heptylsulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}amino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK326305
SMILES CCCCCCCSc1nnc(c(n1)O)c1ccccc1N/C=C\1/C(=NN(C1=O)c1ccccc1)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 C27H30N6O2S MW 502.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N6O2S/c1-3-4-5-6-12-17-36-27-29-25(34)24(30-31-27)21-15-10-11-16-23(21)28-18-22-19(2)32-33(26(22)35)20-13-8-7-9-14-20/h7-11,13-16,18,28H,3-6,12,17H2,1-2H3,(H,29,31,34)/b22-18-
InChIKey
JVNKMCUNTYPBIS-PYCFMQQDSA-N
Synonyms

(4Z)4(((2(3(heptylsulfanyl)5hydroxy124triazin6yl)phenyl)amino)methylidene)5methyl2phenyl24dihydro3Hpyrazol3one
3heptylsulfanyl6(2(((Z)(3methyl5oxo1phenylpyrazol4ylidene)methyl)amino)phenyl)2H124triazin5one
4((2(3(HEPTYLSULFANYL)5HYDROXY124TRIAZIN6YL)ANILINO)METHYLENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CCCCCCCSC1=NC(=O)C(=NN1)C2=CC=CC=C2NC=C3C(=NN(C3=O)C4=CC=CC=C4)C
CCCCCCCSc1nnc(c(n1)O)c1ccccc1NC=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC27H30N6O2Sc13456121736272925(34)24(303127)211510111623(21)28182219(2)3233(26(22)35)20138791420h71113161828H361217H212H3(H293134)b2218
MFCD02952049
ZINC000008442524
ZINC08442524
ZINC8442524

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Available files

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