Vitas-M small molecule compound
N-{1-[5-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}furan-2-carboxamide
Catalog ID
STK336225
SMILES C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1C(NC(=O)c1ccco1)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 C21H21N5O5S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O5S/c1-3-8-26-19(13(2)22-20(28)16-5-4-9-29-16)24-25-21(26)32-11-18(27)23-14-6-7-15-17(10-14)31-12-30-15/h3-7,9-10,13H,1,8,11-12H2,2H3,(H,22,28)(H,23,27)InChIKey
ISGUKIXJDXKGJT-UHFFFAOYSA-NSynonyms
1010859-98-91010859989
CC(C1=NN=C(N1CC=C)SCC(=O)NC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CO4
InChI=1SC21H21N5O5Sc1382619(13(2)2220(28)165492916)242521(26)321118(27)2314671517(1014)31123015h3791013H181112H22H3(H2228)(H2327)
MFCD09964597
N(1(5((2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)ETHYL)FURAN2CARBOXAMIDE
N(1(5(2(13benzodioxol5ylamino)2oxoethyl)sulfanyl4prop2enyl124triazol3yl)ethyl)furan2carboxamide
ZINC000018201342
ZINC000018201344
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