Vitas-M small molecule compound

9,9-dimethyl-12-phenyl-2-[({[(1E)-1-(thiophen-2-yl)ethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one

Catalog ID
STK270388
SMILES C/C(=N\OCc1nc2n(n1)cnc1c2C(c2ccccc2)C2=C(O1)CC(CC2=O)(C)C)/c1cccs1

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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 C27H25N5O3S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S/c1-16(20-10-7-11-36-20)31-34-14-21-29-25-24-22(17-8-5-4-6-9-17)23-18(33)12-27(2,3)13-19(23)35-26(24)28-15-32(25)30-21/h4-11,15,22H,12-14H2,1-3H3/b31-16+
InChIKey
WTZJSWCRZWHEON-WCMJOSRZSA-N
Synonyms
846581-25-7
(E)99dimethyl12phenyl2((((1(thiophen2yl)ethylidene)amino)oxy)methyl)910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
846581257
99dimethyl12phenyl2(((((1E)1(thiophen2yl)ethylidene)amino)oxy)methyl)891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
CC(=NOCC1=NN2C=NC3=C(C2=N1)C(C4=C(O3)CC(CC4=O)(C)C)C5=CC=CC=C5)C6=CC=CS6
CC(=NOCc1nc2n(n1)cnc1c2C(c2ccccc2)C2=C(O1)CC(CC2=O)(C)C)c1cccs1
InChI=1SC27H25N5O3Sc116(20107113620)3134142129252422(178546917)2318(33)1227(23)1319(23)3526(24)281532(25)3021h4111522H1214H213H3b3116+
MFCD04175257
ZINC000009304768
ZINC000009304770

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Available files

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