Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamide
Catalog ID
STK757461
SMILES C=CCn1c2ccccc2c2c1nc(nn2)SC(C(=O)Nc1sc2c(c1C#N)CCCC2)CC
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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 C25H24N6OS2 MW 488.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N6OS2/c1-3-13-31-18-11-7-5-10-16(18)21-22(31)27-25(30-29-21)34-19(4-2)23(32)28-24-17(14-26)15-9-6-8-12-20(15)33-24/h3,5,7,10-11,19H,1,4,6,8-9,12-13H2,2H3,(H,28,32)InChIKey
IPGMNGGRRSKIDC-UHFFFAOYSA-NSynonyms
CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC4=C(C5=CC=CC=C5N4CC=C)N=N3
InChI=1SC25H24N6OS2c1313311811751016(18)2122(31)2725(302921)3419(42)23(32)282417(1426)159681220(15)3324h357101119H146891213H22H3(H2832)
MFCD01305970
N(3cyano4567tetrahydro1benzothiophen2yl)2((5(prop2en1yl)5H(124)triazino(56b)indol3yl)sulfanyl)butanamide
N(3cyano4567tetrahydro1benzothiophen2yl)2((5prop2enyl(124)triazino(56b)indol3yl)sulfanyl)butanamide
ZINC000002189287
ZINC000002189288
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