Vitas-M small molecule compound
methyl 6-tert-butyl-2-{[(5-propylthiophen-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK431422
SMILES CCCc1scc(c1)C(=O)Nc1sc2c(c1C(=O)OC)CCC(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 C22H29NO3S2 MW 419.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO3S2/c1-6-7-15-10-13(12-27-15)19(24)23-20-18(21(25)26-5)16-9-8-14(22(2,3)4)11-17(16)28-20/h10,12,14H,6-9,11H2,1-5H3,(H,23,24)InChIKey
HKJCPWDTRROISR-UHFFFAOYSA-NSynonyms
CCCC1=CC(=CS1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC
InChI=1SC22H29NO3S2c167151013(122715)19(24)232018(21(25)265)169814(22(23)4)1117(16)2820h101214H6911H215H3(H2324)
methyl6tertbutyl2(((5propylthiophen3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((5propylthiophene3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD03074593
ZINC000002743434
ZINC000002743435
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