Vitas-M small molecule compound
methyl (2Z)-2-[(5-chloro-3-methyl-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
STL395175
SMILES COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C/c2c(C)nn(c2Cl)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 C26H21ClN4O4S MW 521.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN4O4S/c1-14-17(22(27)31(29-14)15-9-5-4-6-10-15)13-19-23(32)30-21-16-11-7-8-12-18(16)35-26(2,28-25(30)36-19)20(21)24(33)34-3/h4-13,20-21H,1-3H3/b19-13-InChIKey
UOKSJPPSPIZYBA-UYRXBGFRSA-NSynonyms
1217868-39-71217868397
CC1=NN(C(=C1C=C2C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)OC)Cl)C6=CC=CC=C6
COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2c(C)nn(c2Cl)c2ccccc2)s1
InChI=1SC26H21ClN4O4Sc11417(22(27)31(2914)1595461015)131923(32)30211611781218(16)3526(22825(30)3619)20(21)24(33)343h4132021H13H3b1913
METHYL(2Z)2((5CHLORO3METHYL1PHENYL1HPYRAZOL4YL)METHYLIDENE)5METHYL1OXO12DIHYDRO5H11H511METHANO(13)THIAZOLO(23D)(135)BENZOXADIAZOCINE13CARBOXYLATE
MFCD04136321
ZINC000105544021
ZINC000105544024
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