Vitas-M small molecule compound
methyl 2-({[2-(3,4-dimethoxyphenyl)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK436348
SMILES COc1cc(CCNC(=S)Nc2sc3c(c2C(=O)OC)CCCC3)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 C21H26N2O4S2 MW 434.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O4S2/c1-25-15-9-8-13(12-16(15)26-2)10-11-22-21(28)23-19-18(20(24)27-3)14-6-4-5-7-17(14)29-19/h8-9,12H,4-7,10-11H2,1-3H3,(H2,22,23,28)InChIKey
TVOQATRRMCJCEF-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)CCNC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OC
InChI=1SC21H26N2O4S2c125159813(1216(15)262)10112221(28)231918(20(24)273)14645717(14)2919h8912H471011H213H3(H2222328)
methyl2(((2(34dimethoxyphenyl)ethyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(2(34dimethoxyphenyl)ethylcarbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD03944653
ZINC000017099151
ZINC17099151
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Check stock on Vitas-MAvailable files
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