Vitas-M small molecule compound
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-{[4-ethyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK474013
SMILES CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCCC3)nnc1Cc1cccs1
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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 C22H25N5OS3 MW 471.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5OS3/c1-2-27-19(12-15-8-7-11-29-15)25-26-22(27)30-14-20(28)24-21-17(13-23)16-9-5-3-4-6-10-18(16)31-21/h7-8,11H,2-6,9-10,12,14H2,1H3,(H,24,28)InChIKey
DHLWOZHXWJBAIH-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCCCC3)C#N)CC4=CC=CS4
InChI=1SC22H25N5OS3c122719(121587112915)252622(27)301420(28)242117(1323)16953461018(16)3121h7811H269101214H21H3(H2428)
MFCD07121717
N(3cyano456789hexahydrocycloocta(b)thiophen2yl)2((4ethyl5(thiophen2ylmethyl)124triazol3yl)sulfanyl)acetamide
N(3cyano456789hexahydrocycloocta(b)thiophen2yl)2((4ethyl5(thiophen2ylmethyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000020214262
ZINC20214262
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