Vitas-M small molecule compound
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-{[5-(4-methoxybenzyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
Catalog ID
STL182192
SMILES C=CCn1c(nnc1Cc1ccc(cc1)OC)SC(C(=O)Nc1sc(c(n1)C)C)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 C21H25N5O2S2 MW 443.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O2S2/c1-6-11-26-18(12-16-7-9-17(28-5)10-8-16)24-25-21(26)30-15(4)19(27)23-20-22-13(2)14(3)29-20/h6-10,15H,1,11-12H2,2-5H3,(H,22,23,27)InChIKey
NMCKKDZBPKALQN-UHFFFAOYSA-NSynonyms
CC1=C(SC(=N1)NC(=O)C(C)SC2=NN=C(N2CC=C)CC3=CC=C(C=C3)OC)C
InChI=1SC21H25N5O2S2c16112618(12167917(285)10816)242521(26)3015(4)19(27)23202213(2)14(3)2920h61015H11112H225H3(H222327)
MFCD22125583
N(45dimethyl13thiazol2yl)2((5((4methoxyphenyl)methyl)4prop2enyl124triazol3yl)sulfanyl)propanamide
N(45dimethyl13thiazol2yl)2((5(4methoxybenzyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)propanamide
ZINC000072191692
ZINC000072191694
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