Vitas-M small molecule compound
4,4-diphenyl-2-[3-(thiophen-2-yl)-1H-pyrazol-4-yl]-1,4-dihydro-2H-3,1-benzoxazine
Catalog ID
STK689374
SMILES c1ccc(cc1)C1(OC(Nc2c1cccc2)c1c[nH]nc1c1cccs1)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 C27H21N3OS MW 435.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3OS/c1-3-10-19(11-4-1)27(20-12-5-2-6-13-20)22-14-7-8-15-23(22)29-26(31-27)21-18-28-30-25(21)24-16-9-17-32-24/h1-18,26,29H,(H,28,30)InChIKey
HUSBDYKTTRVDES-UHFFFAOYSA-NSynonyms
44diphenyl2(3(thiophen2yl)1Hpyrazol4yl)14dihydro2H31benzoxazine
44diphenyl2(5thiophen2yl1Hpyrazol4yl)12dihydro31benzoxazine
C1=CC=C(C=C1)C2(C3=CC=CC=C3NC(O2)C4=C(NN=C4)C5=CC=CS5)C6=CC=CC=C6
c1ccc(cc1)C1(OC(Nc2c1cccc2)c1c(nH)nc1c1cccs1)c1ccccc1
InChI=1SC27H21N3OSc131019(1141)27(20125261320)2214781523(22)2926(3127)2118283025(21)24169173224h1182629H(H2830)
MFCD08142425
ZINC000012376050
ZINC000012376051
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