Vitas-M small molecule compound
methyl (2E)-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Catalog ID
STL402116
SMILES COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C\c2c(C)nn(c2C)c2ccccc2)/s1
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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 C27H24N4O4S MW 500.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O4S/c1-15-19(16(2)31(29-15)17-10-6-5-7-11-17)14-21-24(32)30-23-18-12-8-9-13-20(18)35-27(3,28-26(30)36-21)22(23)25(33)34-4/h5-14,22-23H,1-4H3/b21-14+InChIKey
ZGQVOMJTPLZNRP-KGENOOAVSA-NSynonyms
1025570-27-71025570277
CC1=C(C(=NN1C2=CC=CC=C2)C)C=C3C(=O)N4C5C(C(N=C4S3)(OC6=CC=CC=C56)C)C(=O)OC
COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2c(C)nn(c2C)c2ccccc2)s1
InChI=1SC27H24N4O4Sc11519(16(2)31(2915)17106571117)142124(32)30231812891320(18)3527(32826(30)3621)22(23)25(33)344h5142223H14H3b2114+
methyl(2E)2((35dimethyl1phenyl1Hpyrazol4yl)methylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
MFCD04049684
ZINC000105263537
ZINC000105263541
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