Vitas-M small molecule compound

methyl 2-({(2E)-3-[3-methoxy-4-(pentyloxy)phenyl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK969970
SMILES CCCCCOc1ccc(cc1OC)/C=C/C(=O)Nc1sc2c(c1C(=O)OC)CCC(C2)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 C26H33NO5S MW 471.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO5S/c1-5-6-7-14-32-20-12-9-18(16-21(20)30-3)10-13-23(28)27-25-24(26(29)31-4)19-11-8-17(2)15-22(19)33-25/h9-10,12-13,16-17H,5-8,11,14-15H2,1-4H3,(H,27,28)/b13-10+
InChIKey
NXIZYSHZXZCEDP-JLHYYAGUSA-N
Synonyms
302576-82-5
(E)methyl2(3(3methoxy4(pentyloxy)phenyl)acrylamido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
302576825
CCCCCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC)OC
CCCCCOc1ccc(cc1OC)C=CC(=O)Nc1sc2c(c1C(=O)OC)CCC(C2)C
InChI=1SC26H33NO5Sc156714322012918(1621(20)303)101323(28)272524(26(29)314)1911817(2)1522(19)3325h91012131617H58111415H214H3(H2728)b1310+
methyl2(((2E)3(3methoxy4(pentyloxy)phenyl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)3(3methoxy4pentoxyphenyl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD01848082
ZINC000001808597
ZINC000001808601

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Available files

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