Vitas-M small molecule compound
(2E)-N-{[2-(4-ethoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-3-(furan-2-yl)prop-2-enamide
Catalog ID
STK119855
SMILES CCOc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)/C=C/c1ccco1
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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 C23H21N5O3S MW 447.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O3S/c1-3-30-18-8-6-16(7-9-18)28-26-20-13-15(2)19(14-21(20)27-28)24-23(32)25-22(29)11-10-17-5-4-12-31-17/h4-14H,3H2,1-2H3,(H2,24,25,29,32)/b11-10+InChIKey
KPWOTSIBZDEYMI-ZHACJKMWSA-NSynonyms
(2E)N((2(4ETHOXYPHENYL)6METHYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)3(FURAN2YL)PROP2ENAMIDE
(E)N((2(4ETHOXYPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)3(FURAN2YL)PROP2ENAMIDE
CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C=CC4=CC=CO4)C
CCOc1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)C=Cc1ccco1
InChI=1SC23H21N5O3Sc1330188616(7918)2826201315(2)19(1421(20)2728)2423(32)2522(29)11101754123117h414H3H212H3(H224252932)b1110+
MFCD03057241
ZINC000009805620
ZINC09805620
ZINC9805620
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