Vitas-M small molecule compound
3,6,7-trimethyl-N-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
Catalog ID
STK515365
SMILES O=C(c1oc2c(c1C)ccc(c2C)C)Nc1nnc(s1)SC/C=C/c1ccccc1
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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 C23H21N3O2S2 MW 435.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O2S2/c1-14-11-12-18-16(3)20(28-19(18)15(14)2)21(27)24-22-25-26-23(30-22)29-13-7-10-17-8-5-4-6-9-17/h4-12H,13H2,1-3H3,(H,24,25,27)/b10-7+InChIKey
NXJRTEOOTDMLAT-JXMROGBWSA-NSynonyms
367trimethylN(5(((2E)3phenylprop2en1yl)sulfanyl)134thiadiazol2yl)1benzofuran2carboxamide
367trimethylN(5((E)3phenylprop2enyl)sulfanyl134thiadiazol2yl)1benzofuran2carboxamide
CC1=C(C2=C(C=C1)C(=C(O2)C(=O)NC3=NN=C(S3)SCC=CC4=CC=CC=C4)C)C
InChI=1SC23H21N3O2S2c11411121816(3)20(2819(18)15(14)2)21(27)2422252623(3022)2913710178546917h412H13H213H3(H242527)b107+
MFCD06645222
O=C(c1oc2c(c1C)ccc(c2C)C)Nc1nnc(s1)SCC=Cc1ccccc1
ZINC000016741800
ZINC16741800
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