Vitas-M small molecule compound
tert-butyl [1-({[(8'E)-6'-butyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-ylidene]amino}oxy)-1-oxobutan-2-yl]carbamate
Catalog ID
STK622195
SMILES CCCCc1c/c(=N\OC(=O)C(NC(=O)OC(C)(C)C)CC)/oc2c1cc1CCC3(Oc1c2)CCCCC3
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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 C30H42N2O6 MW 526.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H42N2O6/c1-6-8-12-20-18-26(32-38-27(33)23(7-2)31-28(34)37-29(3,4)5)35-25-19-24-21(17-22(20)25)13-16-30(36-24)14-10-9-11-15-30/h17-19,23H,6-16H2,1-5H3,(H,31,34)/b32-26+InChIKey
HILUBMRDZDCMTO-HMZBKAONSA-NSynonyms
((E)(6butylspiro(34dihydropyrano(32g)chromene21cyclohexane)8ylidene)amino)2((2methylpropan2yl)oxycarbonylamino)butanoate
(E)tertbutyl(1(((6butyl3Hspiro(cyclohexane12pyrano(32g)chromen)8(4H)ylidene)amino)oxy)1oxobutan2yl)carbamate
CCCCC1=CC(=NOC(=O)C(CC)NC(=O)OC(C)(C)C)OC2=CC3=C(CCC4(O3)CCCCC4)C=C12
CCCCc1cc(=NOC(=O)C(NC(=O)OC(C)(C)C)CC)oc2c1cc1CCC3(Oc1c2)CCCCC3
InChI=1SC30H42N2O6c16812201826(323827(33)23(72)3128(34)3729(34)5)3525192421(1722(20)25)131630(3624)14109111530h171923H616H215H3(H3134)b3226+
MFCD09790209
tertbutyl(1((((8E)6butyl34dihydro8Hspiro(cyclohexane12pyrano(32g)chromen)8ylidene)amino)oxy)1oxobutan2yl)carbamate
ZINC000009531284
ZINC000009531287
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