Vitas-M small molecule compound
propan-2-yl 3-methyl-4-{5-[(Z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STK111630
SMILES CC(OC(=O)c1ccc(c(c1)C)c1ccc(o1)/C=c/1\sc2n(c1=O)c1c(n2)cccc1)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 C25H20N2O4S MW 444.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O4S/c1-14(2)30-24(29)16-8-10-18(15(3)12-16)21-11-9-17(31-21)13-22-23(28)27-20-7-5-4-6-19(20)26-25(27)32-22/h4-14H,1-3H3/b22-13-InChIKey
YUFYDFTUNGVTMB-XKZIYDEJSA-NSynonyms
CC(OC(=O)c1ccc(c(c1)C)c1ccc(o1)C=c1sc2n(c1=O)c1c(n2)cccc1)C
CC1=C(C=CC(=C1)C(=O)OC(C)C)C2=CC=C(O2)C=C3C(=O)N4C5=CC=CC=C5N=C4S3
InChI=1SC25H20N2O4Sc114(2)3024(29)1681018(15(3)1216)2111917(3121)132223(28)2720754619(20)2625(27)3222h414H13H3b2213
MFCD04127149
PROPAN2YL3METHYL4(5((Z)(1OXO(13)THIAZOLO(32A)BENZIMIDAZOL2YLIDENE)METHYL)FURAN2YL)BENZOATE
PROPAN2YL3METHYL4(5((Z)(3OXO(13)THIAZOLO(32A)BENZIMIDAZOL2(3H)YLIDENE)METHYL)FURAN2YL)BENZOATE
ZINC000001098802
ZINC01098802
ZINC1098802
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