Vitas-M small molecule compound

3-({(E)-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)phenyl]methylidene}amino)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

Catalog ID
STL348354
SMILES COc1ccc2c(c1)[nH]c1c2ncn(c1=O)/N=C/c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1

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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 C33H26N6O2 MW 538.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26N6O2/c1-41-26-16-17-27-29(18-26)36-32-31(27)34-21-38(33(32)40)35-20-22-12-14-25(15-13-22)39-30(24-10-6-3-7-11-24)19-28(37-39)23-8-4-2-5-9-23/h2-18,20-21,30,36H,19H2,1H3/b35-20+
InChIKey
LREOLBWIOSEVBB-JEPNHJGPSA-N
Synonyms
862118-33-0
(E)3((4(35diphenyl45dihydro1Hpyrazol1yl)benzylidene)amino)7methoxy3Hpyrimido(54b)indol4(5H)one
3(((E)(4(35diphenyl45dihydro1Hpyrazol1yl)phenyl)methylidene)amino)7methoxy35dihydro4Hpyrimido(54b)indol4one
3((E)(4(35diphenyl34dihydropyrazol2yl)phenyl)methylideneamino)7methoxy5Hpyrimido(54b)indol4one
862118330
COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)N=CC4=CC=C(C=C4)N5C(CC(=N5)C6=CC=CC=C6)C7=CC=CC=C7
COc1ccc2c(c1)(nH)c1c2ncn(c1=O)N=Cc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1
InChI=1SC33H26N6O2c1412616172729(1826)363231(27)342138(33(32)40)352022121425(151322)3930(24106371124)1928(3739)238425923h21820213036H19H21H3b3520+
MFCD04012491
ZINC000101210581
ZINC000101210584

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Available files

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