Vitas-M small molecule compound
ethyl 6-tert-butyl-2-({(E)-2-cyano-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK803994
SMILES CCOC(=O)c1c(N/C=C(/c2scc(n2)c2ccc(cc2)CC)\C#N)sc2c1CCC(C2)C(C)(C)C
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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 C29H33N3O2S2 MW 519.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O2S2/c1-6-18-8-10-19(11-9-18)23-17-35-26(32-23)20(15-30)16-31-27-25(28(33)34-7-2)22-13-12-21(29(3,4)5)14-24(22)36-27/h8-11,16-17,21,31H,6-7,12-14H2,1-5H3/b20-16+InChIKey
KZLVVTOHMYILMN-CAPFRKAQSA-NSynonyms
(Z)ethyl6(tertbutyl)2((2cyano2(4(4ethylphenyl)thiazol2yl)vinyl)amino)4567tetrahydrobenzo(b)thiophene3carboxylate
CCC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)OCC)C#N
CCOC(=O)c1c(NC=C(c2scc(n2)c2ccc(cc2)CC)C#N)sc2c1CCC(C2)C(C)(C)C
ethyl6tertbutyl2(((E)2cyano2(4(4ethylphenyl)13thiazol2yl)ethenyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H33N3O2S2c161881019(11918)23173526(3223)20(1530)16312725(28(33)3472)22131221(29(34)5)1424(22)3627h81116172131H671214H215H3b2016+
MFCD07211412
ZINC000009190966
ZINC000013757598
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