Vitas-M small molecule compound
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-[(5-cyclopropyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Catalog ID
STK454642
SMILES CCCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCCC3)nnc1C1CC1
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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 C21H27N5OS2 MW 429.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5OS2/c1-2-11-26-19(14-9-10-14)24-25-21(26)28-13-18(27)23-20-16(12-22)15-7-5-3-4-6-8-17(15)29-20/h14H,2-11,13H2,1H3,(H,23,27)InChIKey
FMIATYFAMQAUEY-UHFFFAOYSA-NSynonyms
CCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCCCC3)C#N)C4CC4
InChI=1SC21H27N5OS2c12112619(1491014)242521(26)281318(27)232016(1222)1575346817(15)2920h14H21113H21H3(H2327)
MFCD04227577
N(3cyano456789hexahydrocycloocta(b)thiophen2yl)2((5cyclopropyl4propyl124triazol3yl)sulfanyl)acetamide
N(3cyano456789hexahydrocycloocta(b)thiophen2yl)2((5cyclopropyl4propyl4H124triazol3yl)sulfanyl)acetamide
ZINC000017096660
ZINC17096660
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