Vitas-M small molecule compound
7-[({5-[(4-chlorophenoxy)methyl]furan-2-yl}carbonyl)amino]-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Catalog ID
STL181869
SMILES Clc1ccc(cc1)OCc1ccc(o1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)[O-])CSc1nnc(s1)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 C23H18ClN4O6S3 MW 578.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN4O6S3/c1-11-26-27-23(37-11)36-10-12-9-35-21-17(20(30)28(21)18(12)22(31)32)25-19(29)16-7-6-15(34-16)8-33-14-4-2-13(24)3-5-14/h2-7,17,21H,8-10H2,1H3,(H,25,29)(H,31,32)/p-1InChIKey
PXBRERZIXUHIGW-UHFFFAOYSA-MSynonyms
7(((5((4chlorophenoxy)methyl)furan2yl)carbonyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylate
7((5((4CHLOROPHENOXY)METHYL)FURAN2CARBONYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLATE
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C4=CC=C(O4)COC5=CC=C(C=C5)Cl)SC2)C(=O)(O)
Clc1ccc(cc1)OCc1ccc(o1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)(O))CSc1nnc(s1)C
InChI=1SC23H19ClN4O6S3c111262723(3711)3610129352117(20(30)28(21)18(12)22(31)32)2519(29)167615(3416)833144213(24)3514h271721H810H21H3(H2529)(H3132)p1
ZINC000002797796
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