Vitas-M small molecule compound
dipropan-2-yl 5,5'-{sulfanediylbis[(1-oxopropane-3,1-diyl)imino]}bis(4-cyano-3-methylthiophene-2-carboxylate)
Catalog ID
STL175927
SMILES N#Cc1c(NC(=O)CCSCCC(=O)Nc2sc(c(c2C#N)C)C(=O)OC(C)C)sc(c1C)C(=O)OC(C)C
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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 C26H30N4O6S3 MW 590.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O6S3/c1-13(2)35-25(33)21-15(5)17(11-27)23(38-21)29-19(31)7-9-37-10-8-20(32)30-24-18(12-28)16(6)22(39-24)26(34)36-14(3)4/h13-14H,7-10H2,1-6H3,(H,29,31)(H,30,32)InChIKey
VXUVPKHOUZBRNG-UHFFFAOYSA-NSynonyms
438452-35-8438452358
CC1=C(SC(=C1C#N)NC(=O)CCSCCC(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C#N)C(=O)OC(C)C
dipropan2yl55(sulfanediylbis((1oxopropane31diyl)imino))bis(4cyano3methylthiophene2carboxylate)
InChI=1SC26H30N4O6S3c113(2)3525(33)2115(5)17(1127)23(3821)2919(31)793710820(32)302418(1228)16(6)22(3924)26(34)3614(3)4h1314H710H216H3(H2931)(H3032)
ISOPROPYL4CYANO5((3((3((3CYANO5(ISOPROPOXYCARBONYL)4METHYL2THIENYL)AMINO)3OXOPROPYL)SULFANYL)PROPANOYL)AMINO)3METHYL2THIOPHENECARBOXYLATE
MFCD03070747
PROPAN2YL4CYANO5(3(3((3CYANO4METHYL5PROPAN2YLOXYCARBONYLTHIOPHEN2YL)AMINO)3OXOPROPYL)SULFANYLPROPANOYLAMINO)3METHYLTHIOPHENE2CARBOXYLATE
ZINC000008432418
ZINC8432418
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