Vitas-M small molecule compound
propan-2-yl 2-{[({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK310653
SMILES Cc1ccn(n1)Cc1nnc(o1)SCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2
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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 C21H25N5O4S2 MW 475.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O4S2/c1-12(2)29-20(28)18-14-6-4-5-7-15(14)32-19(18)22-16(27)11-31-21-24-23-17(30-21)10-26-9-8-13(3)25-26/h8-9,12H,4-7,10-11H2,1-3H3,(H,22,27)InChIKey
OUNMCROIYZWHBK-UHFFFAOYSA-NSynonyms
1005690-69-61005690696
CC1=NN(C=C1)CC2=NN=C(O2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C
InChI=1SC21H25N5O4S2c112(2)2920(28)1814645715(14)3219(18)2216(27)113121242317(3021)10269813(3)2526h8912H471011H213H3(H2227)
MFCD04054233
propan2yl2((((5((3methyl1Hpyrazol1yl)methyl)134oxadiazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((5((3methylpyrazol1yl)methyl)134oxadiazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002805500
ZINC02805500
ZINC2805500
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