Vitas-M small molecule compound
methyl 2-({(2Z)-2-cyano-3-[3-methoxy-4-(pentyloxy)phenyl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK739945
SMILES CCCCCOc1ccc(cc1OC)/C=C(\C(=O)Nc1sc2c(c1C(=O)OC)CCCC2)/C#N
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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 C26H30N2O5S MW 482.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O5S/c1-4-5-8-13-33-20-12-11-17(15-21(20)31-2)14-18(16-27)24(29)28-25-23(26(30)32-3)19-9-6-7-10-22(19)34-25/h11-12,14-15H,4-10,13H2,1-3H3,(H,28,29)/b18-14-InChIKey
QLTMYWGVFGDGGG-JXAWBTAJSA-NSynonyms
(E)methyl2(2cyano3(3methoxy4(pentyloxy)phenyl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
CCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OC
CCCCCOc1ccc(cc1OC)C=C(C(=O)Nc1sc2c(c1C(=O)OC)CCCC2)C#N
InChI=1SC26H30N2O5Sc1458133320121117(1521(20)312)1418(1627)24(29)282523(26(30)323)199671022(19)3425h11121415H41013H213H3(H2829)b1814
methyl2(((2Z)2cyano3(3methoxy4(pentyloxy)phenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((Z)2cyano3(3methoxy4pentoxyphenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD13371842
ZINC000033934587
ZINC33934587
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