Vitas-M small molecule compound
methyl 2-({[2-(4-ethylphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK421685
SMILES CCc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCCCC2
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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 C30H30N2O3S MW 498.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O3S/c1-3-19-14-16-20(17-15-19)25-18-23(21-10-8-9-12-24(21)31-25)28(33)32-29-27(30(34)35-2)22-11-6-4-5-7-13-26(22)36-29/h8-10,12,14-18H,3-7,11,13H2,1-2H3,(H,32,33)InChIKey
FALRZBVZLAKXLD-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCCC5)C(=O)OC
InChI=1SC30H30N2O3Sc1319141620(171519)251823(2110891224(21)3125)28(33)322927(30(34)352)221164571326(22)3629h810121418H371113H212H3(H3233)
methyl2(((2(4ethylphenyl)quinolin4yl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((2(4ethylphenyl)quinoline4carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD01337840
ZINC000002081399
ZINC02081399
ZINC2081399
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