Vitas-M small molecule compound
4-(5-{(Z)-[2-(4-chlorobenzyl)-5-iminio-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STL041422
SMILES Clc1ccc(cc1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccc(cc3)C(=O)[O-])/C2=[NH2+])s1
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C24H15ClN4O4S MW 490.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H15ClN4O4S/c25-16-7-1-13(2-8-16)11-20-28-29-21(26)18(22(30)27-24(29)34-20)12-17-9-10-19(33-17)14-3-5-15(6-4-14)23(31)32/h1-10,12,26H,11H2,(H,31,32)/b18-12-,26-21?InChIKey
MIWUBIBQPPNIOS-JZSRTLTASA-NSynonyms
4(5((Z)(2((4CHLOROPHENYL)METHYL)5IMINO7OXO(134)THIADIAZOLO(32A)PYRIMIDIN6YLIDENE)METHYL)FURAN2YL)BENZOICACID
4(5((Z)(2(4chlorobenzyl)5iminio7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
C1=CC(=CC=C1CC2=NN3C(=N)C(=CC4=CC=C(O4)C5=CC=C(C=C5)C(=O)O)C(=O)N=C3S2)Cl
Clc1ccc(cc1)Cc1nn2c(=NC(=O)C(=Cc3ccc(o3)c3ccc(cc3)C(=O)(O))C2=(NH2+))s1
InChI=1SC24H15ClN4O4Sc25167113(2816)1120282921(26)18(22(30)2724(29)3420)121791019(3317)143515(6414)23(31)32h1101226H11H2(H3132)b18122621?
MFCD04169614
ZINC000009281867
ZINC9281867
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