Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
Catalog ID
STK085349
SMILES O=C(Nc1nnc(s1)C1CCCCC1)/C=C/c1ccc2c(c1)OCO2
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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 C18H19N3O3S MW 357.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O3S/c22-16(9-7-12-6-8-14-15(10-12)24-11-23-14)19-18-21-20-17(25-18)13-4-2-1-3-5-13/h6-10,13H,1-5,11H2,(H,19,21,22)/b9-7+InChIKey
GPFWGEQPGXFCFC-VQHVLOKHSA-NSynonyms
590377-67-6(2E)3(13BENZODIOXOL5YL)N(5CYCLOHEXYL134THIADIAZOL2YL)PROP2ENAMIDE
(2E)3(2HBENZO(34D)13DIOXOLEN5YL)N(5CYCLOHEXYL(134THIADIAZOL2YL))PROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)N(5CYCLOHEXYL134THIADIAZOL2YL)PROP2ENAMIDE
590377676
C1CCC(CC1)C2=NN=C(S2)NC(=O)C=CC3=CC4=C(C=C3)OCO4
InChI=1SC18H19N3O3Sc2216(9712681415(1012)24112314)1918212017(2518)134213513h61013H1511H2(H192122)b97+
MFCD03716715
O=C(Nc1nnc(s1)C1CCCCC1)C=Cc1ccc2c(c1)OCO2
STK085349
ZINC000001116162
ZINC01116162
ZINC1116162
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