Vitas-M small molecule compound
1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
Catalog ID
STK469994
SMILES COc1cc(CCNC(=S)Nc2ccc(cc2)S(=O)(=O)N2CCCCCC2)ccc1OC
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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 C23H31N3O4S2 MW 477.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N3O4S2/c1-29-21-12-7-18(17-22(21)30-2)13-14-24-23(31)25-19-8-10-20(11-9-19)32(27,28)26-15-5-3-4-6-16-26/h7-12,17H,3-6,13-16H2,1-2H3,(H2,24,25,31)InChIKey
NZZUAYXJRSFKPS-UHFFFAOYSA-NSynonyms
((4((((2(34DIMETHOXYPHENYL)ETHYL)AMINO)THIOXOMETHYL)AMINO)PHENYL)SULFONYL)AZAPERHYDROEPINE
1(4(azepan1ylsulfonyl)phenyl)3(2(34dimethoxyphenyl)ethyl)thiourea
COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC
InChI=1SC23H31N3O4S2c1292112718(1722(21)302)13142423(31)251981020(11919)32(2728)261553461626h71217H361316H212H3(H2242531)
MFCD06114324
ZINC000020259034
ZINC20259034
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