Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-{3-[4-(morpholin-4-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Catalog ID
STK815188
SMILES N#C/C(=C\c1cn(nc1c1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccccc1)/c1nc2c(s1)cccc2
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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 C29H23N5O3S2 MW 553.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O3S2/c30-19-22(29-31-26-8-4-5-9-27(26)38-29)18-23-20-34(24-6-2-1-3-7-24)32-28(23)21-10-12-25(13-11-21)39(35,36)33-14-16-37-17-15-33/h1-13,18,20H,14-17H2/b22-18+InChIKey
ZJNWYSMKVPSJFF-RELWKKBWSA-NSynonyms
(2E)2(13benzothiazol2yl)3(3(4(morpholin4ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(3(4MORPHOLIN4YLSULFONYLPHENYL)1PHENYLPYRAZOL4YL)PROP2ENENITRILE
C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=NN(C=C3C=C(C#N)C4=NC5=CC=CC=C5S4)C6=CC=CC=C6
InChI=1SC29H23N5O3S2c301922(293126845927(26)3829)18232034(246213724)3228(23)21101225(131121)39(3536)33141637171533h1131820H1417H2b2218+
MFCD04442560
N#CC(=Cc1cn(nc1c1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccccc1)c1nc2c(s1)cccc2
ZINC000100893549
ZINC100893549
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