Vitas-M small molecule compound
methyl 2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK058760
SMILES COC(=O)c1ccccc1NC(=O)CSc1nnc(s1)NC(=O)/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 C21H18N4O4S2 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S2/c1-29-19(28)15-9-5-6-10-16(15)22-18(27)13-30-21-25-24-20(31-21)23-17(26)12-11-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,22,27)(H,23,24,26)/b12-11+InChIKey
FUJXPCPEIWMQNK-VAWYXSNFSA-NSynonyms
COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(S2)NC(=O)C=CC3=CC=CC=C3
COC(=O)c1ccccc1NC(=O)CSc1nnc(s1)NC(=O)C=Cc1ccccc1
InChI=1SC21H18N4O4S2c12919(28)159561016(15)2218(27)133021252420(3121)2317(26)1211147324814h212H13H21H3(H2227)(H232426)b1211+
METHYL2((((5(((2E)3PHENYLPROP2ENOYL)AMINO)134THIADIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2((2((5(((E)3PHENYLPROP2ENOYL)AMINO)134THIADIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD03356388
STK058760
ZINC000002819421
ZINC02819421
ZINC2819421
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