Vitas-M small molecule compound
ethyl 2-amino-7,7-dimethyl-4-(4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STK781007
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1scc(c1)CSc1nnnn1C)C(=O)CC(C2)(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 C21H25N5O4S2 MW 475.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O4S2/c1-5-29-19(28)17-16(15-12(27)7-21(2,3)8-13(15)30-18(17)22)14-6-11(9-31-14)10-32-20-23-24-25-26(20)4/h6,9,16H,5,7-8,10,22H2,1-4H3InChIKey
OJPXXNBBEROJGM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC2=C(C1C3=CC(=CS3)CSC4=NN=NN4C)C(=O)CC(C2)(C)C)N
ethyl2amino77dimethyl4(4(((1methyl1Htetrazol5yl)sulfanyl)methyl)thiophen2yl)5oxo5678tetrahydro4Hchromene3carboxylate
ETHYL2AMINO77DIMETHYL4(4((1METHYLTETRAZOL5YL)SULFANYLMETHYL)THIOPHEN2YL)5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
InChI=1SC21H25N5O4S2c152919(28)1716(1512(27)721(23)813(15)3018(17)22)14611(93114)10322023242526(20)4h6916H5781022H214H3
MFCD06014151
ZINC000012412767
ZINC000012412769
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